1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol

C13H18FNO2 — CID 115833989

IUPAC1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C13H18FNO2/c14-12-9-15-7-6-11(12)13(16)5-4-10-3-1-2-8-17-10/h6-7,9-10,13,16H,1-5,8H2
InChIKeyLPVHMLKFOGGXSQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.60
Rot. Bonds4

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

1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 115833989) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
PubChem CID115833989
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C13H18FNO2/c14-12-9-15-7-6-11(12)13(16)5-4-10-3-1-2-8-17-10/h6-7,9-10,13,16H,1-5,8H2
InChIKeyLPVHMLKFOGGXSQ-UHFFFAOYSA-N
XLogP2.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
CID 115800210
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
CID 115826914
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol (CID 115833989) is 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol is OC(CCC1CCCCO1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is LPVHMLKFOGGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-9-15-7-6-11(12)13(16)5-4-10-3-1-2-8-17-10/h6-7,9-10,13,16H,1-5,8H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol?
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115833989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).