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

C11H14F2O3 — CID 82919491

IUPAC3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O3/c1-15-11(16-2)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,6H2,1-2H3
InChIKeyDYTVKEIRAFVHJA-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.49
Rot. Bonds5

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

3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol (PubChem CID 82919491) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
PubChem CID82919491
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O3/c1-15-11(16-2)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,6H2,1-2H3
InChIKeyDYTVKEIRAFVHJA-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.49
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

1-(3,4-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713006
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481
1-(3,4-difluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457159
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448967
(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105330394
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
3-(3,4-difluorophenyl)-2-fluoropropanoic acid
CID 81357959
3-(3,4-difluorophenyl)-2-hydroxypropanenitrile
CID 141475699
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol (CID 82919491) is 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol is COC(OC)C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
The InChIKey is DYTVKEIRAFVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-15-11(16-2)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,6H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol?
3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol has a molecular weight of 232.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 82919491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).