3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene

C7H3ClF6 — CID 151338692

IUPAC3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(C(F)(F)F)CC=C1Cl
InChIInChI=1S/C7H3ClF6/c8-3-1-2-6(11,7(12,13)14)5(10)4(3)9/h1H,2H2
InChIKeyOJZPBHLWKUCQJQ-UHFFFAOYSA-N
MW236.54 g/mol
LogP3.93
Rot. Bonds

About 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene

3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 151338692) has the molecular formula C7H3ClF6 and a molecular weight of 236.54 g/mol. Its IUPAC name is 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID151338692
Molecular FormulaC7H3ClF6
Molecular Weight236.54 g/mol
Exact Mass235.98
IUPAC Name3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(C(F)(F)F)CC=C1Cl
InChIInChI=1S/C7H3ClF6/c8-3-1-2-6(11,7(12,13)14)5(10)4(3)9/h1H,2H2
InChIKeyOJZPBHLWKUCQJQ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 151338692) is 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene is FC1=C(F)C(F)(C(F)(F)F)CC=C1Cl.
What is the InChIKey of 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is OJZPBHLWKUCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF6/c8-3-1-2-6(11,7(12,13)14)5(10)4(3)9/h1H,2H2.
What are the key properties of 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene?
3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 236.54 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,6-trifluoro-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 151338692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).