1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene

C14H4F10 — CID 134620085

IUPAC1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(F)F)c(F)c1F
InChIInChI=1S/C14H4F10/c15-8-7(9(16)11(18)12(19)10(8)17)6-3-4(14(22,23)24)1-2-5(6)13(20)21/h1-3,13H
InChIKeyZUCJXRVNMUHNRX-UHFFFAOYSA-N
MW362.17 g/mol
LogP6.01
Rot. Bonds2

About 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene

1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 134620085) has the molecular formula C14H4F10 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID134620085
Molecular FormulaC14H4F10
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(F)F)c(F)c1F
InChIInChI=1S/C14H4F10/c15-8-7(9(16)11(18)12(19)10(8)17)6-3-4(14(22,23)24)1-2-5(6)13(20)21/h1-3,13H
InChIKeyZUCJXRVNMUHNRX-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.17
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 134629075
2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
CID 170246272
3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
CID 165350362
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene (CID 134620085) is 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(-c2cc(C(F)(F)F)ccc2C(F)F)c(F)c1F.
What is the InChIKey of 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is ZUCJXRVNMUHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10/c15-8-7(9(16)11(18)12(19)10(8)17)6-3-4(14(22,23)24)1-2-5(6)13(20)21/h1-3,13H.
What are the key properties of 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 362.17 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 134620085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).