1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol

C14H11F4NO — CID 115940730

IUPAC1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F4NO/c1-2-14(20,11-6-3-8(15)7-19-11)9-4-5-10(16)13(18)12(9)17/h3-7,20H,2H2,1H3
InChIKeyPMRXZAQDDXGCNS-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.28
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 115940730) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID115940730
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F4NO/c1-2-14(20,11-6-3-8(15)7-19-11)9-4-5-10(16)13(18)12(9)17/h3-7,20H,2H2,1H3
InChIKeyPMRXZAQDDXGCNS-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124686
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol (CID 115940730) is 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol is CCC(O)(c1ccc(F)cn1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is PMRXZAQDDXGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-2-14(20,11-6-3-8(15)7-19-11)9-4-5-10(16)13(18)12(9)17/h3-7,20H,2H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 285.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 115940730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).