1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene

C14H9F5O2 — CID 134622409

IUPAC1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F5O2/c15-13(16)20-12-3-1-2-10(8-12)9-4-6-11(7-5-9)21-14(17,18)19/h1-8,13H
InChIKeyILHFQKCLVIRUCN-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.85
Rot. Bonds4

About 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene

1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134622409) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID134622409
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F5O2/c15-13(16)20-12-3-1-2-10(8-12)9-4-6-11(7-5-9)21-14(17,18)19/h1-8,13H
InChIKeyILHFQKCLVIRUCN-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]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

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 141128245
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
4-[3-[3-(difluoromethoxy)phenyl]-5-(trifluoromethoxy)phenyl]-1,2-dihydrodiazete-3-carbonitrile
CID 144776687
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene (CID 134622409) is 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene is FC(F)Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is ILHFQKCLVIRUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-13(16)20-12-3-1-2-10(8-12)9-4-6-11(7-5-9)21-14(17,18)19/h1-8,13H.
What are the key properties of 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 304.21 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134622409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).