1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol

C11H16FNO2 — CID 103027695

IUPAC1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccncc1F
InChIInChI=1S/C11H16FNO2/c1-11(2,15-3)6-10(14)8-4-5-13-7-9(8)12/h4-5,7,10,14H,6H2,1-3H3
InChIKeyZGPXIDKCCSRZAJ-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol

1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027695) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027695
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccncc1F
InChIInChI=1S/C11H16FNO2/c1-11(2,15-3)6-10(14)8-4-5-13-7-9(8)12/h4-5,7,10,14H,6H2,1-3H3
InChIKeyZGPXIDKCCSRZAJ-UHFFFAOYSA-N
XLogP2.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
1-(3-fluoro-4-pyridinyl)-2-(2-methoxyethylamino)ethanol
CID 104739344
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
CID 104738027
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol (CID 103027695) is 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is ZGPXIDKCCSRZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(2,15-3)6-10(14)8-4-5-13-7-9(8)12/h4-5,7,10,14H,6H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol?
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 2.07, 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-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).