(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine

C14H15F6N — CID 171208851

IUPAC(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H15F6N/c15-13(16,17)9-5-6-11(14(18,19)20)10(7-9)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m1/s1
InChIKeyGPEYDRDVIZONIS-GFCCVEGCSA-N
MW311.27 g/mol
LogP4.91
Rot. Bonds2

About (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine

(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine (PubChem CID 171208851) has the molecular formula C14H15F6N and a molecular weight of 311.27 g/mol. Its IUPAC name is (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine.

Molecular Properties

Compound Name(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
PubChem CID171208851
Molecular FormulaC14H15F6N
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC Name(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H15F6N/c15-13(16,17)9-5-6-11(14(18,19)20)10(7-9)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m1/s1
InChIKeyGPEYDRDVIZONIS-GFCCVEGCSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677

Frequently Asked Questions

What is the IUPAC name of (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The IUPAC name of (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine (CID 171208851) is (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine.
What is the SMILES notation for (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The canonical SMILES for (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine is N[C@@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The InChIKey is GPEYDRDVIZONIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15F6N/c15-13(16,17)9-5-6-11(14(18,19)20)10(7-9)12(21)8-3-1-2-4-8/h5-8,12H,1-4,21H2/t12-/m1/s1.
What are the key properties of (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine?
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine is sourced from PubChem (CID 171208851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).