(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride

C13H15Cl2F4N — CID 171209273

IUPAC(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(C(F)(F)F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF4N.ClH/c14-9-6-5-8(13(16,17)18)10(11(9)15)12(19)7-3-1-2-4-7;/h5-7,12H,1-4,19H2;1H/t12-;/m1./s1
InChIKeyUNAFLHFVXWZEAY-UTONKHPSSA-N
MW332.17 g/mol
LogP5.11
Rot. Bonds2

About (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride

(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride (PubChem CID 171209273) has the molecular formula C13H15Cl2F4N and a molecular weight of 332.17 g/mol. Its IUPAC name is (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
PubChem CID171209273
Molecular FormulaC13H15Cl2F4N
Molecular Weight332.17 g/mol
Exact Mass331.05
IUPAC Name(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(C(F)(F)F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF4N.ClH/c14-9-6-5-8(13(16,17)18)10(11(9)15)12(19)7-3-1-2-4-7;/h5-7,12H,1-4,19H2;1H/t12-;/m1./s1
InChIKeyUNAFLHFVXWZEAY-UTONKHPSSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171269599
(1R,2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171269601
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
2-[(S)-amino(cyclopentyl)methyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171255758
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166160
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171207653
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;hydrochloride
CID 171180441
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390

Frequently Asked Questions

What is the IUPAC name of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride (CID 171209273) is (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride is Cl.N[C@@H](c1c(C(F)(F)F)ccc(Cl)c1F)C1CCCC1.
What is the InChIKey of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride?
The InChIKey is UNAFLHFVXWZEAY-UTONKHPSSA-N. The full InChI is InChI=1S/C13H14ClF4N.ClH/c14-9-6-5-8(13(16,17)18)10(11(9)15)12(19)7-3-1-2-4-7;/h5-7,12H,1-4,19H2;1H/t12-;/m1./s1.
What are the key properties of (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride?
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride has a molecular weight of 332.17 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171209273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).