1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene

C7H6ClF — CID 135432299

IUPAC1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(Cl)CC=C1F
InChIInChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h3-4H,1-2H2
InChIKeyYDQDFRDOYDTSIH-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.92
Rot. Bonds

About 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene

1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene (PubChem CID 135432299) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene
PubChem CID135432299
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(Cl)CC=C1F
InChIInChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h3-4H,1-2H2
InChIKeyYDQDFRDOYDTSIH-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene (CID 135432299) is 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene is C=C1C=C(Cl)CC=C1F.
What is the InChIKey of 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene?
The InChIKey is YDQDFRDOYDTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h3-4H,1-2H2.
What are the key properties of 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene?
1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene has a molecular weight of 144.58 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-3-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 135432299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).