2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene

C9H7F5O — CID 46311740

IUPAC2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H7F5O/c1-15-7-3-2-5(9(12,13)14)4-6(7)8(10)11/h2-4,8H,1H3
InChIKeyWWCZCAUWXFUQQG-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.65
Rot. Bonds2

About 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene

2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene (PubChem CID 46311740) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
PubChem CID46311740
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H7F5O/c1-15-7-3-2-5(9(12,13)14)4-6(7)8(10)11/h2-4,8H,1H3
InChIKeyWWCZCAUWXFUQQG-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
CID 117306672
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
4-[2-(difluoromethyl)-4-(trifluoromethyl)phenoxy]-3-methoxybenzaldehyde
CID 87642906
2-[3-(difluoromethyl)-4-methoxyphenyl]butan-2-amine
CID 165350561
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
2-ethynyl-1-methoxy-4-(trifluoromethyl)benzene
CID 138985776
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene (CID 46311740) is 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene?
The InChIKey is WWCZCAUWXFUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c1-15-7-3-2-5(9(12,13)14)4-6(7)8(10)11/h2-4,8H,1H3.
What are the key properties of 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene?
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene has a molecular weight of 226.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 46311740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).