2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene

C15H7F9 — CID 134617711

IUPAC2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H7F9/c16-13(17,18)8-5-6-10(12(7-8)15(22,23)24)9-3-1-2-4-11(9)14(19,20)21/h1-7H
InChIKeyASRHMNKWJYFJMY-UHFFFAOYSA-N
MW358.20 g/mol
LogP6.41
Rot. Bonds1

About 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene

2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134617711) has the molecular formula C15H7F9 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134617711
Molecular FormulaC15H7F9
Molecular Weight358.20 g/mol
Exact Mass358.04
IUPAC Name2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H7F9/c16-13(17,18)8-5-6-10(12(7-8)15(22,23)24)9-3-1-2-4-11(9)14(19,20)21/h1-7H
InChIKeyASRHMNKWJYFJMY-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 119019022
1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene
CID 161467485
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
4-N-phenyl-4-N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]-1-N,1-N-bis[4-(N-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 58963789
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene (CID 134617711) is 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is ASRHMNKWJYFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F9/c16-13(17,18)8-5-6-10(12(7-8)15(22,23)24)9-3-1-2-4-11(9)14(19,20)21/h1-7H.
What are the key properties of 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene?
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 358.20 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134617711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).