(E,5S)-7-chloro-5-fluorohept-3-ene

C7H12ClF — CID 129227460

IUPAC(E,5S)-7-chloro-5-fluorohept-3-ene
SMILESCC/C=C/[C@@H](F)CCCl
InChIInChI=1S/C7H12ClF/c1-2-3-4-7(9)5-6-8/h3-4,7H,2,5-6H2,1H3/b4-3+/t7-/m1/s1
InChIKeyBECKOGQGCPBXBY-KGGZQZJCSA-N
MW150.62 g/mol
LogP2.92
Rot. Bonds4

About (E,5S)-7-chloro-5-fluorohept-3-ene

(E,5S)-7-chloro-5-fluorohept-3-ene (PubChem CID 129227460) has the molecular formula C7H12ClF and a molecular weight of 150.62 g/mol. Its IUPAC name is (E,5S)-7-chloro-5-fluorohept-3-ene.

Molecular Properties

Compound Name(E,5S)-7-chloro-5-fluorohept-3-ene
PubChem CID129227460
Molecular FormulaC7H12ClF
Molecular Weight150.62 g/mol
Exact Mass150.06
IUPAC Name(E,5S)-7-chloro-5-fluorohept-3-ene
SMILESCC/C=C/[C@@H](F)CCCl
InChIInChI=1S/C7H12ClF/c1-2-3-4-7(9)5-6-8/h3-4,7H,2,5-6H2,1H3/b4-3+/t7-/m1/s1
InChIKeyBECKOGQGCPBXBY-KGGZQZJCSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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,5S)-7-chloro-5-fluorohept-3-ene?
The IUPAC name of (E,5S)-7-chloro-5-fluorohept-3-ene (CID 129227460) is (E,5S)-7-chloro-5-fluorohept-3-ene.
What is the SMILES notation for (E,5S)-7-chloro-5-fluorohept-3-ene?
The canonical SMILES for (E,5S)-7-chloro-5-fluorohept-3-ene is CC/C=C/[C@@H](F)CCCl.
What is the InChIKey of (E,5S)-7-chloro-5-fluorohept-3-ene?
The InChIKey is BECKOGQGCPBXBY-KGGZQZJCSA-N. The full InChI is InChI=1S/C7H12ClF/c1-2-3-4-7(9)5-6-8/h3-4,7H,2,5-6H2,1H3/b4-3+/t7-/m1/s1.
What are the key properties of (E,5S)-7-chloro-5-fluorohept-3-ene?
(E,5S)-7-chloro-5-fluorohept-3-ene has a molecular weight of 150.62 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-7-chloro-5-fluorohept-3-ene is sourced from PubChem (CID 129227460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).