[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol

C14H17F4NO — CID 115282901

IUPAC[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cc(F)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H17F4NO/c15-12-6-10(5-11(7-12)14(16,17)18)8-19-13(9-20)3-1-2-4-13/h5-7,19-20H,1-4,8-9H2
InChIKeyGPODKMRYFHAEQU-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.24
Rot. Bonds4

About [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol

[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol (PubChem CID 115282901) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
PubChem CID115282901
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cc(F)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H17F4NO/c15-12-6-10(5-11(7-12)14(16,17)18)8-19-13(9-20)3-1-2-4-13/h5-7,19-20H,1-4,8-9H2
InChIKeyGPODKMRYFHAEQU-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
CID 115763173
[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
CID 114453179
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 103740393
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
CID 162577330
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121

Frequently Asked Questions

What is the IUPAC name of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol (CID 115282901) is [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol is OCC1(NCc2cc(F)cc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol?
The InChIKey is GPODKMRYFHAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c15-12-6-10(5-11(7-12)14(16,17)18)8-19-13(9-20)3-1-2-4-13/h5-7,19-20H,1-4,8-9H2.
What are the key properties of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol?
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol has a molecular weight of 291.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 115282901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).