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

C14H16F3NO — CID 104930369

IUPAC(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H16F3NO/c1-10(19)11-2-4-13(5-3-11)18-8-6-12(7-9-18)14(15,16)17/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1
InChIKeyKSJPKPLVLWPKLU-JTQLQIEISA-N
MW271.28 g/mol
LogP3.44
Rot. Bonds2

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

(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol (PubChem CID 104930369) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
PubChem CID104930369
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H16F3NO/c1-10(19)11-2-4-13(5-3-11)18-8-6-12(7-9-18)14(15,16)17/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1
InChIKeyKSJPKPLVLWPKLU-JTQLQIEISA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.44
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': 'anil_di_alk_E(186)', '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]ethanol
CID 114490352
1-[3-chloro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490342
(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
CID 104930325
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
CID 130617448
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
CID 104929024
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
CID 104930323
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol (CID 104930369) is (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(N2CC=C(C(F)(F)F)CC2)cc1.
What is the InChIKey of (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
The InChIKey is KSJPKPLVLWPKLU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10(19)11-2-4-13(5-3-11)18-8-6-12(7-9-18)14(15,16)17/h2-6,10,19H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol?
(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol has a molecular weight of 271.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol is sourced from PubChem (CID 104930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).