4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene

C6H5ClF4 — CID 174983751

IUPAC4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
SMILESCC=C(Cl)C=C(F)C(F)(F)F
InChIInChI=1S/C6H5ClF4/c1-2-4(7)3-5(8)6(9,10)11/h2-3H,1H3
InChIKeyKUSLAHPBMFZTSG-UHFFFAOYSA-N
MW188.55 g/mol
LogP3.54
Rot. Bonds1

About 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene

4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene (PubChem CID 174983751) has the molecular formula C6H5ClF4 and a molecular weight of 188.55 g/mol. Its IUPAC name is 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene.

Molecular Properties

Compound Name4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
PubChem CID174983751
Molecular FormulaC6H5ClF4
Molecular Weight188.55 g/mol
Exact Mass188.00
IUPAC Name4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
SMILESCC=C(Cl)C=C(F)C(F)(F)F
InChIInChI=1S/C6H5ClF4/c1-2-4(7)3-5(8)6(9,10)11/h2-3H,1H3
InChIKeyKUSLAHPBMFZTSG-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
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(1E)-1-chloro-1-fluoro-4-methylpenta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene?
The IUPAC name of 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene (CID 174983751) is 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene.
What is the SMILES notation for 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene?
The canonical SMILES for 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene is CC=C(Cl)C=C(F)C(F)(F)F.
What is the InChIKey of 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene?
The InChIKey is KUSLAHPBMFZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF4/c1-2-4(7)3-5(8)6(9,10)11/h2-3H,1H3.
What are the key properties of 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene?
4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene has a molecular weight of 188.55 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene is sourced from PubChem (CID 174983751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).