4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol

C12H14F3NO — CID 105127410

IUPAC4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3NO/c1-8(2)3-6-11(17)10-5-4-9(7-16-10)12(13,14)15/h4-5,7,11,17H,1,3,6H2,2H3
InChIKeyDXLNPUZFHRULQT-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol

4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol (PubChem CID 105127410) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
PubChem CID105127410
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3NO/c1-8(2)3-6-11(17)10-5-4-9(7-16-10)12(13,14)15/h4-5,7,11,17H,1,3,6H2,2H3
InChIKeyDXLNPUZFHRULQT-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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

N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
2-(2-methyltetrazol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 107065711
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105082327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol?
The IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol (CID 105127410) is 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol is C=C(C)CCC(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol?
The InChIKey is DXLNPUZFHRULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8(2)3-6-11(17)10-5-4-9(7-16-10)12(13,14)15/h4-5,7,11,17H,1,3,6H2,2H3.
What are the key properties of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol?
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol has a molecular weight of 245.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol is sourced from PubChem (CID 105127410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).