1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol

C10H10F3NO — CID 102707910

IUPAC1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
SMILESC=CCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-3-9(15)7-6-14-5-4-8(7)10(11,12)13/h2,4-6,9,15H,1,3H2
InChIKeyNYHWYMRQNAQSST-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.71
Rot. Bonds3

About 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol

1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol (PubChem CID 102707910) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
PubChem CID102707910
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
SMILESC=CCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-3-9(15)7-6-14-5-4-8(7)10(11,12)13/h2,4-6,9,15H,1,3H2
InChIKeyNYHWYMRQNAQSST-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol (CID 102707910) is 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol is C=CCC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol?
The InChIKey is NYHWYMRQNAQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-3-9(15)7-6-14-5-4-8(7)10(11,12)13/h2,4-6,9,15H,1,3H2.
What are the key properties of 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol?
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol has a molecular weight of 217.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol is sourced from PubChem (CID 102707910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).