1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol

C11H14F2O3 — CID 22993491

IUPAC1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)(c1ccc(F)c(F)c1)C(C)O
InChIInChI=1S/C11H14F2O3/c1-7(14)11(15-2,16-3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyOEQIGIFUNDLIEE-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.79
Rot. Bonds4

About 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol

1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol (PubChem CID 22993491) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
PubChem CID22993491
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)(c1ccc(F)c(F)c1)C(C)O
InChIInChI=1S/C11H14F2O3/c1-7(14)11(15-2,16-3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyOEQIGIFUNDLIEE-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.79
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

2-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 18712714
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol (CID 22993491) is 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol is COC(OC)(c1ccc(F)c(F)c1)C(C)O.
What is the InChIKey of 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The InChIKey is OEQIGIFUNDLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-7(14)11(15-2,16-3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol has a molecular weight of 232.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 22993491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).