[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol

C12H14F3NO — CID 117104583

IUPAC[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
SMILESOCC1(c2ccc(C(F)(F)F)nc2)CCCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-4-3-9(7-16-10)11(8-17)5-1-2-6-11/h3-4,7,17H,1-2,5-6,8H2
InChIKeyTWJLIDKYSPBQJW-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.90
Rot. Bonds2

About [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol

[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol (PubChem CID 117104583) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
PubChem CID117104583
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
SMILESOCC1(c2ccc(C(F)(F)F)nc2)CCCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-4-3-9(7-16-10)11(8-17)5-1-2-6-11/h3-4,7,17H,1-2,5-6,8H2
InChIKeyTWJLIDKYSPBQJW-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
CID 155978324
(E)-4-oxo-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxybut-2-enoic acid
CID 162734107
3-[6-(trifluoromethyl)-3-pyridinyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954541
[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
CID 116992098
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
(2E)-N-[[4,4-difluoro-1-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]methyl]-2-prop-1-en-2-ylpenta-2,4-dienamide
CID 144603619
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
4-phenyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]cyclohexan-1-one
CID 162582780
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513

Frequently Asked Questions

What is the IUPAC name of [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol?
The IUPAC name of [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol (CID 117104583) is [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol?
The canonical SMILES for [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol is OCC1(c2ccc(C(F)(F)F)nc2)CCCC1.
What is the InChIKey of [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol?
The InChIKey is TWJLIDKYSPBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-4-3-9(7-16-10)11(8-17)5-1-2-6-11/h3-4,7,17H,1-2,5-6,8H2.
What are the key properties of [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol?
[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol has a molecular weight of 245.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol is sourced from PubChem (CID 117104583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).