1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene

C15H8F8 — CID 174983353

IUPAC1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C(F)(F)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H8F8/c16-13(17,9-5-2-1-3-6-9)10-7-4-8-11(14(18,19)20)12(10)15(21,22)23/h1-8H
InChIKeyMDWZINREVQNUSH-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.86
Rot. Bonds2

About 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene

1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene (PubChem CID 174983353) has the molecular formula C15H8F8 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene
PubChem CID174983353
Molecular FormulaC15H8F8
Molecular Weight340.21 g/mol
Exact Mass340.05
IUPAC Name1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C(F)(F)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H8F8/c16-13(17,9-5-2-1-3-6-9)10-7-4-8-11(14(18,19)20)12(10)15(21,22)23/h1-8H
InChIKeyMDWZINREVQNUSH-UHFFFAOYSA-N
XLogP5.86
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 ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(trifluoromethyl)benzenethiol;hydrochloride;tetrahydrofluoride
CID 173469139
4-[2,3-bis(trifluoromethyl)phenyl]benzoic acid
CID 87400968
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
N,N,2,3-tetrakis(trifluoromethyl)aniline
CID 141091771
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
2-(trifluoromethyl)phenol
CID 162212145
4-[difluoro(phenyl)methyl]phenol
CID 83855777

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene (CID 174983353) is 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene is FC(F)(F)c1cccc(C(F)(F)c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene?
The InChIKey is MDWZINREVQNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8/c16-13(17,9-5-2-1-3-6-9)10-7-4-8-11(14(18,19)20)12(10)15(21,22)23/h1-8H.
What are the key properties of 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene?
1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene has a molecular weight of 340.21 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 174983353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).