1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol

C11H14F3NO — CID 63201539

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
SMILESCCCC(O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO/c1-2-3-10(16)6-9-5-4-8(7-15-9)11(12,13)14/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyITTOITCTFJYBNH-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.80
Rot. Bonds4

About 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol

1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol (PubChem CID 63201539) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
PubChem CID63201539
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
SMILESCCCC(O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO/c1-2-3-10(16)6-9-5-4-8(7-15-9)11(12,13)14/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyITTOITCTFJYBNH-UHFFFAOYSA-N
XLogP2.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
CID 55162997
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol
CID 137411130
[5-(trifluoromethyl)-2-pyridinyl]methanol sulfate
CID 18983902
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
CID 174326305
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol (CID 63201539) is 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol is CCCC(O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
The InChIKey is ITTOITCTFJYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-3-10(16)6-9-5-4-8(7-15-9)11(12,13)14/h4-5,7,10,16H,2-3,6H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol?
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol is sourced from PubChem (CID 63201539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).