1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene

C8ClF9 — CID 71363141

IUPAC1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(Cl)C(F)(F)F)c(F)c1F
InChIInChI=1S/C8ClF9/c9-7(15,8(16,17)18)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyOBBJLTOKXFYBKP-UHFFFAOYSA-N
MW302.52 g/mol
LogP4.31
Rot. Bonds1

About 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene

1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 71363141) has the molecular formula C8ClF9 and a molecular weight of 302.52 g/mol. Its IUPAC name is 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID71363141
Molecular FormulaC8ClF9
Molecular Weight302.52 g/mol
Exact Mass301.95
IUPAC Name1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(Cl)C(F)(F)F)c(F)c1F
InChIInChI=1S/C8ClF9/c9-7(15,8(16,17)18)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyOBBJLTOKXFYBKP-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene (CID 71363141) is 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(F)(Cl)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is OBBJLTOKXFYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8ClF9/c9-7(15,8(16,17)18)1-2(10)4(12)6(14)5(13)3(1)11.
What are the key properties of 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene?
1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 302.52 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-1,2,2,2-tetrafluoroethyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 71363141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).