1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene

C15H8F8 — CID 134622895

IUPAC1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F8/c16-13(17)10-4-9(6-12(7-10)15(21,22)23)8-2-1-3-11(5-8)14(18,19)20/h1-7,13H
InChIKeyPGUMHMMVJADNIP-UHFFFAOYSA-N
MW340.21 g/mol
LogP6.33
Rot. Bonds2

About 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene

1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134622895) has the molecular formula C15H8F8 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134622895
Molecular FormulaC15H8F8
Molecular Weight340.21 g/mol
Exact Mass340.05
IUPAC Name1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F8/c16-13(17)10-4-9(6-12(7-10)15(21,22)23)8-2-1-3-11(5-8)14(18,19)20/h1-7,13H
InChIKeyPGUMHMMVJADNIP-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118841259
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793
CID 162573398
CID 162573398
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119002321
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene (CID 134622895) is 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene is FC(F)c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is PGUMHMMVJADNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8/c16-13(17)10-4-9(6-12(7-10)15(21,22)23)8-2-1-3-11(5-8)14(18,19)20/h1-7,13H.
What are the key properties of 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene?
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 340.21 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134622895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).