(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine

C14H14F7N — CID 171216145

IUPAC(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1c(F)cc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H14F7N/c15-10-6-8(13(16,17)18)5-9(14(19,20)21)11(10)12(22)7-3-1-2-4-7/h5-7,12H,1-4,22H2/t12-/m1/s1
InChIKeyJHKFYXKAGHMWGL-GFCCVEGCSA-N
MW329.26 g/mol
LogP5.05
Rot. Bonds2

About (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine

(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine (PubChem CID 171216145) has the molecular formula C14H14F7N and a molecular weight of 329.26 g/mol. Its IUPAC name is (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine
PubChem CID171216145
Molecular FormulaC14H14F7N
Molecular Weight329.26 g/mol
Exact Mass329.10
IUPAC Name(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1c(F)cc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H14F7N/c15-10-6-8(13(16,17)18)5-9(14(19,20)21)11(10)12(22)7-3-1-2-4-7/h5-7,12H,1-4,22H2/t12-/m1/s1
InChIKeyJHKFYXKAGHMWGL-GFCCVEGCSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(S)-cyclopropyl-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171234289
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
2-[(S)-amino(cyclopentyl)methyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171255758
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171245009
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1S)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propan-1-amine
CID 171313374

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine (CID 171216145) is (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine is N[C@@H](c1c(F)cc(C(F)(F)F)cc1C(F)(F)F)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine?
The InChIKey is JHKFYXKAGHMWGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14F7N/c15-10-6-8(13(16,17)18)5-9(14(19,20)21)11(10)12(22)7-3-1-2-4-7/h5-7,12H,1-4,22H2/t12-/m1/s1.
What are the key properties of (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine?
(R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine has a molecular weight of 329.26 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171216145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).