(E)-5-chloro-6-fluorohept-3-ene

C7H12ClF — CID 134389897

IUPAC(E)-5-chloro-6-fluorohept-3-ene
SMILESCC/C=C/C(Cl)C(C)F
InChIInChI=1S/C7H12ClF/c1-3-4-5-7(8)6(2)9/h4-7H,3H2,1-2H3/b5-4+
InChIKeyNYMZJBVIRSWTQR-SNAWJCMRSA-N
MW150.62 g/mol
LogP2.92
Rot. Bonds3

About (E)-5-chloro-6-fluorohept-3-ene

(E)-5-chloro-6-fluorohept-3-ene (PubChem CID 134389897) has the molecular formula C7H12ClF and a molecular weight of 150.62 g/mol. Its IUPAC name is (E)-5-chloro-6-fluorohept-3-ene.

Molecular Properties

Compound Name(E)-5-chloro-6-fluorohept-3-ene
PubChem CID134389897
Molecular FormulaC7H12ClF
Molecular Weight150.62 g/mol
Exact Mass150.06
IUPAC Name(E)-5-chloro-6-fluorohept-3-ene
SMILESCC/C=C/C(Cl)C(C)F
InChIInChI=1S/C7H12ClF/c1-3-4-5-7(8)6(2)9/h4-7H,3H2,1-2H3/b5-4+
InChIKeyNYMZJBVIRSWTQR-SNAWJCMRSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.62
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-6-fluorohept-3-ene?
The IUPAC name of (E)-5-chloro-6-fluorohept-3-ene (CID 134389897) is (E)-5-chloro-6-fluorohept-3-ene.
What is the SMILES notation for (E)-5-chloro-6-fluorohept-3-ene?
The canonical SMILES for (E)-5-chloro-6-fluorohept-3-ene is CC/C=C/C(Cl)C(C)F.
What is the InChIKey of (E)-5-chloro-6-fluorohept-3-ene?
The InChIKey is NYMZJBVIRSWTQR-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12ClF/c1-3-4-5-7(8)6(2)9/h4-7H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-5-chloro-6-fluorohept-3-ene?
(E)-5-chloro-6-fluorohept-3-ene has a molecular weight of 150.62 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-6-fluorohept-3-ene is sourced from PubChem (CID 134389897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).