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

C10H12F3NO — CID 63201095

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
SMILESCCC(O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3NO/c1-2-9(15)5-8-4-3-7(6-14-8)10(11,12)13/h3-4,6,9,15H,2,5H2,1H3
InChIKeyAOAZENAASCPOBJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.41
Rot. Bonds3

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

1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol (PubChem CID 63201095) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
PubChem CID63201095
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
SMILESCCC(O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3NO/c1-2-9(15)5-8-4-3-7(6-14-8)10(11,12)13/h3-4,6,9,15H,2,5H2,1H3
InChIKeyAOAZENAASCPOBJ-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
CID 55162997
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839687
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
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol (CID 63201095) is 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol is CCC(O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol?
The InChIKey is AOAZENAASCPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-9(15)5-8-4-3-7(6-14-8)10(11,12)13/h3-4,6,9,15H,2,5H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol?
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 2.41, 3 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]butan-2-ol is sourced from PubChem (CID 63201095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).