1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene

C15H8Cl2F6 — CID 22336549

IUPAC1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
SMILESFC(F)(F)C(F)(F)C(F)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H8Cl2F6/c16-11-7-3-1-5-9(11)13(18,14(19,20)15(21,22)23)10-6-2-4-8-12(10)17/h1-8H
InChIKeyCZXMOXFBKRTGLY-UHFFFAOYSA-N
MW373.12 g/mol
LogP6.40
Rot. Bonds3

About 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene

1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene (PubChem CID 22336549) has the molecular formula C15H8Cl2F6 and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
PubChem CID22336549
Molecular FormulaC15H8Cl2F6
Molecular Weight373.12 g/mol
Exact Mass371.99
IUPAC Name1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
SMILESFC(F)(F)C(F)(F)C(F)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H8Cl2F6/c16-11-7-3-1-5-9(11)13(18,14(19,20)15(21,22)23)10-6-2-4-8-12(10)17/h1-8H
InChIKeyCZXMOXFBKRTGLY-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156764253
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol
CID 162511344
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol
CID 162511679
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene (CID 22336549) is 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene is FC(F)(F)C(F)(F)C(F)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene?
The InChIKey is CZXMOXFBKRTGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F6/c16-11-7-3-1-5-9(11)13(18,14(19,20)15(21,22)23)10-6-2-4-8-12(10)17/h1-8H.
What are the key properties of 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene?
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene has a molecular weight of 373.12 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene is sourced from PubChem (CID 22336549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).