[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine

C13H14F5N — CID 115051446

IUPAC[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccccc2C(F)(F)F)CCC(F)(F)C1
InChIInChI=1S/C13H14F5N/c14-12(15)6-5-11(7-12,8-19)9-3-1-2-4-10(9)13(16,17)18/h1-4H,5-8,19H2
InChIKeyCHHGTLRZEMVXFS-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.72
Rot. Bonds2

About [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine

[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine (PubChem CID 115051446) has the molecular formula C13H14F5N and a molecular weight of 279.25 g/mol. Its IUPAC name is [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
PubChem CID115051446
Molecular FormulaC13H14F5N
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC Name[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccccc2C(F)(F)F)CCC(F)(F)C1
InChIInChI=1S/C13H14F5N/c14-12(15)6-5-11(7-12,8-19)9-3-1-2-4-10(9)13(16,17)18/h1-4H,5-8,19H2
InChIKeyCHHGTLRZEMVXFS-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
CID 115045654
1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
CID 172860633
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
CID 115044146
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117330254
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117369668
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine (CID 115051446) is [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine is NCC1(c2ccccc2C(F)(F)F)CCC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is CHHGTLRZEMVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N/c14-12(15)6-5-11(7-12,8-19)9-3-1-2-4-10(9)13(16,17)18/h1-4H,5-8,19H2.
What are the key properties of [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 279.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 115051446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).