N1-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine

N1-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine

CAS: 381241-10-7

Formula: C10H12F3N3O2

SMILES: NCCCNC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: N1-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine

InChI: InChI=1S/C10H12F3N3O2/c11-10(12,13)7-2-3-8(15-5-1-4-14)9(6-7)16(17)18/h2-3,6,15H,1,4-5,14H2

Composition: C (45.63%), H (4.60%), F (21.65%), N (15.96%), O (12.16%)

Molar Mass: 263.22

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.088161127
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GPIAUHZGDZGEJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.36
Topological Polar Surface Area	81.19
Polarizability	21.67
Ring Count	1
Rotatable Bond Count	6

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