Text Search
Structure Search

3-fluoro-5-(trifluoromethyl)aniline

3-fluoro-5-(trifluoromethyl)aniline

CAS: 454-67-1

Formula: C7H5F4N

SMILES: NC1=CC(F)=CC(=C1)C(F)(F)F

IUPAC: 3-fluoro-5-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

Composition: C (46.94%), H (2.81%), F (42.43%), N (7.82%)

Molar Mass: 179.118

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.035811817
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WQKQODZOQAFYPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.95
Topological Polar Surface Area 26.02
Polarizability 12.58
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 454-67-1 $8.05-$95.45$8.05$95.45
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 454-67-1 $7.25-$101.43$7.25$25.88$46.58$101.43
Request Quote
Kinentia Biosciences LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 454-67-1 $94.50$94.50
Request Quote