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4-(1,1-difluoropropyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(1,1-difluoropropyl)-1-fluoro-2-(trifluoromethyl)benzene

CAS: 1138445-49-4

Formula: C10H8F6

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

IUPAC: 4-(1,1-difluoropropyl)-1-fluoro-2-(trifluoromethyl)benzene

InChI: InChI=1S/C10H8F6/c1-2-9(12,13)6-3-4-8(11)7(5-6)10(14,15)16/h3-5H,2H2,1H3

Composition: C (49.60%), H (3.33%), F (47.07%)

Molar Mass: 242.164

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 242.053019236
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey XMWMPCNTJXSYQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.82
Topological Polar Surface Area 0
Polarizability 16.62
Ring Count 1
Rotatable Bond Count 3

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