(E)-1-chloro-2-fluorohex-2-ene

C6H10ClF — CID 134256385

IUPAC(E)-1-chloro-2-fluorohex-2-ene
SMILESCCC/C=C(/F)CCl
InChIInChI=1S/C6H10ClF/c1-2-3-4-6(8)5-7/h4H,2-3,5H2,1H3/b6-4+
InChIKeyHNCJCAYCHMQRNN-GQCTYLIASA-N
MW136.60 g/mol
LogP2.88
Rot. Bonds3

About (E)-1-chloro-2-fluorohex-2-ene

(E)-1-chloro-2-fluorohex-2-ene (PubChem CID 134256385) has the molecular formula C6H10ClF and a molecular weight of 136.60 g/mol. Its IUPAC name is (E)-1-chloro-2-fluorohex-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-fluorohex-2-ene
PubChem CID134256385
Molecular FormulaC6H10ClF
Molecular Weight136.60 g/mol
Exact Mass136.05
IUPAC Name(E)-1-chloro-2-fluorohex-2-ene
SMILESCCC/C=C(/F)CCl
InChIInChI=1S/C6H10ClF/c1-2-3-4-6(8)5-7/h4H,2-3,5H2,1H3/b6-4+
InChIKeyHNCJCAYCHMQRNN-GQCTYLIASA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 52.88
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 (E)-1-chloro-2-fluorohex-2-ene?
The IUPAC name of (E)-1-chloro-2-fluorohex-2-ene (CID 134256385) is (E)-1-chloro-2-fluorohex-2-ene.
What is the SMILES notation for (E)-1-chloro-2-fluorohex-2-ene?
The canonical SMILES for (E)-1-chloro-2-fluorohex-2-ene is CCC/C=C(/F)CCl.
What is the InChIKey of (E)-1-chloro-2-fluorohex-2-ene?
The InChIKey is HNCJCAYCHMQRNN-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10ClF/c1-2-3-4-6(8)5-7/h4H,2-3,5H2,1H3/b6-4+.
What are the key properties of (E)-1-chloro-2-fluorohex-2-ene?
(E)-1-chloro-2-fluorohex-2-ene has a molecular weight of 136.60 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-fluorohex-2-ene is sourced from PubChem (CID 134256385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).