1-(2,2-difluoroethoxymethyl)-3-methoxybenzene

C10H12F2O2 — CID 88878889

IUPAC1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCC(F)F)c1
InChIInChI=1S/C10H12F2O2/c1-13-9-4-2-3-8(5-9)6-14-7-10(11)12/h2-5,10H,6-7H2,1H3
InChIKeyOVHPVZDDXYMCBP-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene

1-(2,2-difluoroethoxymethyl)-3-methoxybenzene (PubChem CID 88878889) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
PubChem CID88878889
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCC(F)F)c1
InChIInChI=1S/C10H12F2O2/c1-13-9-4-2-3-8(5-9)6-14-7-10(11)12/h2-5,10H,6-7H2,1H3
InChIKeyOVHPVZDDXYMCBP-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(bromomethyl)-3-methylbutoxy]methyl]-3-methoxybenzene
CID 65012343
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
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CID 71757143
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CID 103149560
1-(2-aminophenyl)-2-[(3-methoxyphenyl)methoxy]ethanol
CID 62268099
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide
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1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene?
The IUPAC name of 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene (CID 88878889) is 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene?
The canonical SMILES for 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene is COc1cccc(COCC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene?
The InChIKey is OVHPVZDDXYMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-13-9-4-2-3-8(5-9)6-14-7-10(11)12/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene?
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene has a molecular weight of 202.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxymethyl)-3-methoxybenzene is sourced from PubChem (CID 88878889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).