2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol

C12H14F3NO — CID 102707477

IUPAC2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-3-4-6-11(2,17)10-8-16-7-5-9(10)12(13,14)15/h3,5,7-8,17H,1,4,6H2,2H3
InChIKeyDDGKUFIZKKAYPJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol

2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol (PubChem CID 102707477) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
PubChem CID102707477
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-3-4-6-11(2,17)10-8-16-7-5-9(10)12(13,14)15/h3,5,7-8,17H,1,4,6H2,2H3
InChIKeyDDGKUFIZKKAYPJ-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.27
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

3-hydroxy-3-[4-(trifluoromethyl)-3-pyridinyl]butanal
CID 102707382
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
CID 106971677
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707464
dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 112743417
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol?
The IUPAC name of 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol (CID 102707477) is 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol is C=CCCC(C)(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol?
The InChIKey is DDGKUFIZKKAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-4-6-11(2,17)10-8-16-7-5-9(10)12(13,14)15/h3,5,7-8,17H,1,4,6H2,2H3.
What are the key properties of 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol?
2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol has a molecular weight of 245.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol is sourced from PubChem (CID 102707477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).