1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol

C14H15F4NO — CID 114490352

IUPAC1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H15F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-4,8-9,20H,5-7H2,1H3
InChIKeyLUYLZGAKLWNXRK-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.58
Rot. Bonds2

About 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol

1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol (PubChem CID 114490352) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
PubChem CID114490352
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H15F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-4,8-9,20H,5-7H2,1H3
InChIKeyLUYLZGAKLWNXRK-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
1-[3-chloro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490342
(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930369
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 114172519
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol (CID 114490352) is 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol is CC(O)c1ccc(N2CC=C(C(F)(F)F)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The InChIKey is LUYLZGAKLWNXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-4,8-9,20H,5-7H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol has a molecular weight of 289.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol is sourced from PubChem (CID 114490352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).