(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

C13H15F4N — CID 171209544

IUPAC(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-6-5-9(13(15,16)17)7-10(11)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1
InChIKeyGTZPQYOAWWBBKD-GFCCVEGCSA-N
MW261.26 g/mol
LogP4.03
Rot. Bonds2

About (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171209544) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171209544
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCCC1
InChIInChI=1S/C13H15F4N/c14-11-6-5-9(13(15,16)17)7-10(11)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1
InChIKeyGTZPQYOAWWBBKD-GFCCVEGCSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249581
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (CID 171209544) is (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is N[C@@H](c1cc(C(F)(F)F)ccc1F)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GTZPQYOAWWBBKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-6-5-9(13(15,16)17)7-10(11)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1.
What are the key properties of (R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 261.26 g/mol, XLogP of 4.03, 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-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171209544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).