1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene

C13H7F5O — CID 22355337

IUPAC1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(-c2cccc(OC(F)(F)F)c2)c1F
InChIInChI=1S/C13H7F5O/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)19-13(16,17)18/h1-7H
InChIKeyYZLIOWYFMMRVAB-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.53
Rot. Bonds2

About 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene

1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 22355337) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID22355337
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(-c2cccc(OC(F)(F)F)c2)c1F
InChIInChI=1S/C13H7F5O/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)19-13(16,17)18/h1-7H
InChIKeyYZLIOWYFMMRVAB-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
1-[2,3-difluoro-5-(trifluoromethoxy)phenyl]-2,5-dimethoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 175815451
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 162637331
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4,5-difluoro-2-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 172648931

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene (CID 22355337) is 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene is Fc1cccc(-c2cccc(OC(F)(F)F)c2)c1F.
What is the InChIKey of 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is YZLIOWYFMMRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)19-13(16,17)18/h1-7H.
What are the key properties of 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene?
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 274.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 22355337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).