1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene

C9H7F5O — CID 134622447

IUPAC1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
SMILESCc1cccc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5O/c1-5-3-2-4-6(8(10)11)7(5)15-9(12,13)14/h2-4,8H,1H3
InChIKeyWUHKUHBFBGQGKW-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.83
Rot. Bonds2

About 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene

1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene (PubChem CID 134622447) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
PubChem CID134622447
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
SMILESCc1cccc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H7F5O/c1-5-3-2-4-6(8(10)11)7(5)15-9(12,13)14/h2-4,8H,1H3
InChIKeyWUHKUHBFBGQGKW-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene 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

[3-(difluoromethyl)-2-(trifluoromethoxy)phenyl]boronic acid
CID 170998837
3-(difluoromethyl)-2-(trifluoromethoxy)benzenethiol
CID 170998814
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087
CID 175083102
CID 175083102
1-(difluoromethyl)-2-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622478
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
(2,6-dimethylphenoxy)-difluoromethanol
CID 134547391
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene (CID 134622447) is 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene is Cc1cccc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is WUHKUHBFBGQGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c1-5-3-2-4-6(8(10)11)7(5)15-9(12,13)14/h2-4,8H,1H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene?
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 226.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 134622447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).