[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol

C12H16F3NO — CID 123189618

IUPAC[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCCC(C)c1cc(C(F)(F)F)c(CO)cn1
InChIInChI=1S/C12H16F3NO/c1-3-4-8(2)11-5-10(12(13,14)15)9(7-17)6-16-11/h5-6,8,17H,3-4,7H2,1-2H3
InChIKeyCJDJBZINCUXXLE-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.50
Rot. Bonds4

About [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol

[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 123189618) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID123189618
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCCC(C)c1cc(C(F)(F)F)c(CO)cn1
InChIInChI=1S/C12H16F3NO/c1-3-4-8(2)11-5-10(12(13,14)15)9(7-17)6-16-11/h5-6,8,17H,3-4,7H2,1-2H3
InChIKeyCJDJBZINCUXXLE-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282987
2-pentan-2-yl-5-(trifluoromethyl)pyrazine
CID 137409409
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
CID 144787128
4-fluoro-2-pentan-2-ylpyridine
CID 134243640
5-methyl-2-pentan-2-ylpyridine
CID 121401028
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 142503568
2-pentan-2-yl-6-propan-2-ylpyrazine
CID 137452291
[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
CID 79018308
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465

Frequently Asked Questions

What is the IUPAC name of [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 123189618) is [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol is CCCC(C)c1cc(C(F)(F)F)c(CO)cn1.
What is the InChIKey of [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is CJDJBZINCUXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-4-8(2)11-5-10(12(13,14)15)9(7-17)6-16-11/h5-6,8,17H,3-4,7H2,1-2H3.
What are the key properties of [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol?
[6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 247.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-pentan-2-yl-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 123189618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).