2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol

C12H15F3O3 — CID 158318334

IUPAC2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(OC)c1F)OC(F)F
InChIInChI=1S/C12H15F3O3/c1-3-12(16,18-11(14)15)7-8-5-4-6-9(17-2)10(8)13/h4-6,11,16H,3,7H2,1-2H3
InChIKeyGONQUZRBPIMHOJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.71
Rot. Bonds6

About 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol

2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol (PubChem CID 158318334) has the molecular formula C12H15F3O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
PubChem CID158318334
Molecular FormulaC12H15F3O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(OC)c1F)OC(F)F
InChIInChI=1S/C12H15F3O3/c1-3-12(16,18-11(14)15)7-8-5-4-6-9(17-2)10(8)13/h4-6,11,16H,3,7H2,1-2H3
InChIKeyGONQUZRBPIMHOJ-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The IUPAC name of 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol (CID 158318334) is 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The canonical SMILES for 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol is CCC(O)(Cc1cccc(OC)c1F)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
The InChIKey is GONQUZRBPIMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3/c1-3-12(16,18-11(14)15)7-8-5-4-6-9(17-2)10(8)13/h4-6,11,16H,3,7H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol?
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol has a molecular weight of 264.24 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 158318334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).