2-(3,4-difluorophenyl)-2,2-dimethoxyethanol

C10H12F2O3 — CID 18712714

IUPAC2-(3,4-difluorophenyl)-2,2-dimethoxyethanol
SMILESCOC(CO)(OC)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2O3/c1-14-10(6-13,15-2)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyOCKMQUIRXBCPOK-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.40
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol

2-(3,4-difluorophenyl)-2,2-dimethoxyethanol (PubChem CID 18712714) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2,2-dimethoxyethanol
PubChem CID18712714
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name2-(3,4-difluorophenyl)-2,2-dimethoxyethanol
SMILESCOC(CO)(OC)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2O3/c1-14-10(6-13,15-2)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyOCKMQUIRXBCPOK-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.40
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)-1,1-dimethoxypropan-2-ol
CID 22993491
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
4-(4-bromo-3-fluorophenyl)-4,4-dimethoxybutanamide
CID 148609218
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol (CID 18712714) is 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol is COC(CO)(OC)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol?
The InChIKey is OCKMQUIRXBCPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-14-10(6-13,15-2)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol?
2-(3,4-difluorophenyl)-2,2-dimethoxyethanol has a molecular weight of 218.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2,2-dimethoxyethanol is sourced from PubChem (CID 18712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).