1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol

C14H13F2NO — CID 104737726

IUPAC1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)c1ccncc1F
InChIInChI=1S/C14H13F2NO/c1-2-14(18,10-5-3-4-6-12(10)15)11-7-8-17-9-13(11)16/h3-9,18H,2H2,1H3
InChIKeyCZKNPNWSJYXOPY-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol

1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol (PubChem CID 104737726) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
PubChem CID104737726
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)c1ccncc1F
InChIInChI=1S/C14H13F2NO/c1-2-14(18,10-5-3-4-6-12(10)15)11-7-8-17-9-13(11)16/h3-9,18H,2H2,1H3
InChIKeyCZKNPNWSJYXOPY-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
2,2-diethoxy-1-(3-fluoro-4-pyridinyl)-1-phenylethanol
CID 57247812
1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
1-(2-fluorophenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 112679355
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
2-amino-1,1-bis(2-fluorophenyl)ethanol
CID 139948069
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol (CID 104737726) is 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol is CCC(O)(c1ccccc1F)c1ccncc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol?
The InChIKey is CZKNPNWSJYXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-2-14(18,10-5-3-4-6-12(10)15)11-7-8-17-9-13(11)16/h3-9,18H,2H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol?
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol has a molecular weight of 249.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 104737726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).