(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene

C6H5ClF2 — CID 89391117

IUPAC(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene
SMILESFC1=C[C@H](Cl)CC(F)=C1
InChIInChI=1S/C6H5ClF2/c7-4-1-5(8)3-6(9)2-4/h1,3-4H,2H2/t4-/m0/s1
InChIKeyJURBTQUPPLNDOU-BYPYZUCNSA-N
MW150.56 g/mol
LogP2.70
Rot. Bonds

About (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene

(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene (PubChem CID 89391117) has the molecular formula C6H5ClF2 and a molecular weight of 150.56 g/mol. Its IUPAC name is (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene
PubChem CID89391117
Molecular FormulaC6H5ClF2
Molecular Weight150.56 g/mol
Exact Mass150.00
IUPAC Name(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene
SMILESFC1=C[C@H](Cl)CC(F)=C1
InChIInChI=1S/C6H5ClF2/c7-4-1-5(8)3-6(9)2-4/h1,3-4H,2H2/t4-/m0/s1
InChIKeyJURBTQUPPLNDOU-BYPYZUCNSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene?
The IUPAC name of (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene (CID 89391117) is (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene is FC1=C[C@H](Cl)CC(F)=C1.
What is the InChIKey of (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene?
The InChIKey is JURBTQUPPLNDOU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H5ClF2/c7-4-1-5(8)3-6(9)2-4/h1,3-4H,2H2/t4-/m0/s1.
What are the key properties of (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene?
(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene has a molecular weight of 150.56 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 89391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).