1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine

C12H11F6N — CID 106209964

IUPAC1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1cccc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)7-19-10(4-5-10)12(16,17)18/h1-3,6,19H,4-5,7H2
InChIKeyRHINHRKXVRHYHL-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.89
Rot. Bonds3

About 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine

1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 106209964) has the molecular formula C12H11F6N and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID106209964
Molecular FormulaC12H11F6N
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1cccc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)7-19-10(4-5-10)12(16,17)18/h1-3,6,19H,4-5,7H2
InChIKeyRHINHRKXVRHYHL-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
N-[(4-phenylphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209965
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
CID 156602633
2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
CID 65481337
2-fluoro-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
CID 114159735

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine (CID 106209964) is 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine is FC(F)(F)c1cccc(CNC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is RHINHRKXVRHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N/c13-11(14,15)9-3-1-2-8(6-9)7-19-10(4-5-10)12(16,17)18/h1-3,6,19H,4-5,7H2.
What are the key properties of 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 106209964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).