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

C14H7F7O — CID 134628195

IUPAC4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H7F7O/c15-9-4-5-11(12(7-9)13(16,17)18)8-2-1-3-10(6-8)22-14(19,20)21/h1-7H
InChIKeyNIFPYFVRMXVLBB-UHFFFAOYSA-N
MW324.20 g/mol
LogP5.41
Rot. Bonds2

About 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene

4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 134628195) has the molecular formula C14H7F7O and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
PubChem CID134628195
Molecular FormulaC14H7F7O
Molecular Weight324.20 g/mol
Exact Mass324.04
IUPAC Name4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H7F7O/c15-9-4-5-11(12(7-9)13(16,17)18)8-2-1-3-10(6-8)22-14(19,20)21/h1-7H
InChIKeyNIFPYFVRMXVLBB-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.20
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)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

5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118799410
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-[3-(bromomethyl)phenyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 118086167
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
CID 134622576
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene (CID 134628195) is 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene is Fc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is NIFPYFVRMXVLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O/c15-9-4-5-11(12(7-9)13(16,17)18)8-2-1-3-10(6-8)22-14(19,20)21/h1-7H.
What are the key properties of 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene?
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 324.20 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 134628195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).