1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene

C8Cl2F6 — CID 13416586

IUPAC1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene
SMILESFC(F)=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8Cl2F6/c9-2(8(15)16)1-4(11)6(13)3(10)7(14)5(1)12
InChIKeyNYHAGWKXWXYHID-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.70
Rot. Bonds1

About 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene

1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 13416586) has the molecular formula C8Cl2F6 and a molecular weight of 280.98 g/mol. Its IUPAC name is 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene
PubChem CID13416586
Molecular FormulaC8Cl2F6
Molecular Weight280.98 g/mol
Exact Mass279.93
IUPAC Name1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene
SMILESFC(F)=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8Cl2F6/c9-2(8(15)16)1-4(11)6(13)3(10)7(14)5(1)12
InChIKeyNYHAGWKXWXYHID-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.98
LogP ≤ 54.70
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'}

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Related Compounds

3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride
CID 2778195
1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 2782486
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1-Chloro-2,3,5,6-tetrafluoro-4-methylbenzene
CID 15893033
3,5-Dichloro-2,4,6-trifluorobenzotrifluoride
CID 2782510
Dichlorobis(4-chlorotetrafluorophenyl)methane
CID 634395
1-(1-Chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
CID 12701532
1-Chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
CID 13416584
Hexafluorobenzylidene dichloride
CID 13416590
1-Chloro-2,3,4,5-tetrafluoro-6-(trifluoromethyl)benzene
CID 228600
4,4'-Dichlorooctafluorobiphenyl
CID 12652582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene (CID 13416586) is 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene is FC(F)=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is NYHAGWKXWXYHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F6/c9-2(8(15)16)1-4(11)6(13)3(10)7(14)5(1)12.
What are the key properties of 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene?
1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene has a molecular weight of 280.98 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-chloro-2,2-difluoroethenyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 13416586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).