1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

C15H8F8 — CID 119002321

IUPAC1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F8/c16-13(17)10-5-2-6-11(15(21,22)23)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H
InChIKeyOUJLSAZQLBFFPZ-UHFFFAOYSA-N
MW340.21 g/mol
LogP6.33
Rot. Bonds2

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

1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 119002321) has the molecular formula C15H8F8 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID119002321
Molecular FormulaC15H8F8
Molecular Weight340.21 g/mol
Exact Mass340.05
IUPAC Name1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8F8/c16-13(17)10-5-2-6-11(15(21,22)23)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H
InChIKeyOUJLSAZQLBFFPZ-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

1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
CID 134631103
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (CID 119002321) is 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is FC(F)c1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is OUJLSAZQLBFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8/c16-13(17)10-5-2-6-11(15(21,22)23)12(10)8-3-1-4-9(7-8)14(18,19)20/h1-7,13H.
What are the key properties of 1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
1-(difluoromethyl)-3-(trifluoromethyl)-2-[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)-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119002321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).