1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene

C14H10F4O — CID 119003077

IUPAC1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
SMILESCOc1cccc(C(F)F)c1-c1cccc(F)c1F
InChIInChI=1S/C14H10F4O/c1-19-11-7-3-5-9(14(17)18)12(11)8-4-2-6-10(15)13(8)16/h2-7,14H,1H3
InChIKeyICALQUUPSWLPPK-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.58
Rot. Bonds3

About 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene

1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene (PubChem CID 119003077) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
PubChem CID119003077
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
SMILESCOc1cccc(C(F)F)c1-c1cccc(F)c1F
InChIInChI=1S/C14H10F4O/c1-19-11-7-3-5-9(14(17)18)12(11)8-4-2-6-10(15)13(8)16/h2-7,14H,1H3
InChIKeyICALQUUPSWLPPK-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
CID 118809599
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
1-bromo-2,3-difluorobenzene;carbanide;1,2-difluoro-3-(2-fluoro-6-methoxyphenyl)benzene;(2-fluoro-6-methoxyphenyl)boronic acid
CID 162159634
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
1,3-difluoro-2-(2-methoxyphenyl)benzene;isothiocyanic acid
CID 175606865

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene?
The IUPAC name of 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene (CID 119003077) is 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene is COc1cccc(C(F)F)c1-c1cccc(F)c1F.
What is the InChIKey of 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene?
The InChIKey is ICALQUUPSWLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-19-11-7-3-5-9(14(17)18)12(11)8-4-2-6-10(15)13(8)16/h2-7,14H,1H3.
What are the key properties of 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene?
1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene has a molecular weight of 270.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene is sourced from PubChem (CID 119003077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).