2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone

C14H16F3NO — CID 116578791

IUPAC2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESNC1(CC(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-6-2-1-5-10(11)12(19)9-13(18)7-3-4-8-13/h1-2,5-6H,3-4,7-9,18H2
InChIKeyCASAKDPSIWLASN-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.55
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone

2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 116578791) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID116578791
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESNC1(CC(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-6-2-1-5-10(11)12(19)9-13(18)7-3-4-8-13/h1-2,5-6H,3-4,7-9,18H2
InChIKeyCASAKDPSIWLASN-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116747862
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
CID 79062257
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
2-nitro-1-[2-(trifluoromethyl)phenyl]ethanone
CID 18541433
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
CID 64573971

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone (CID 116578791) is 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone is NC1(CC(=O)c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CASAKDPSIWLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)11-6-2-1-5-10(11)12(19)9-13(18)7-3-4-8-13/h1-2,5-6H,3-4,7-9,18H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 271.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116578791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).