1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene

C14H8F6O — CID 134630432

IUPAC1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(OC(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O/c15-10-5-2-6-11(21-13(16)17)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H
InChIKeyDOHRXHRNTRNGOB-UHFFFAOYSA-N
MW306.21 g/mol
LogP5.11
Rot. Bonds3

About 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene

1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134630432) has the molecular formula C14H8F6O and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134630432
Molecular FormulaC14H8F6O
Molecular Weight306.21 g/mol
Exact Mass306.05
IUPAC Name1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(OC(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O/c15-10-5-2-6-11(21-13(16)17)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H
InChIKeyDOHRXHRNTRNGOB-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)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

1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134088408
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119002321
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene (CID 134630432) is 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene is Fc1cccc(OC(F)F)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is DOHRXHRNTRNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O/c15-10-5-2-6-11(21-13(16)17)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H.
What are the key properties of 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 306.21 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134630432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).