5-chloro-1-fluoro-3-methylhex-2-ene

C7H12ClF — CID 123220735

IUPAC5-chloro-1-fluoro-3-methylhex-2-ene
SMILESCC(=CCF)CC(C)Cl
InChIInChI=1S/C7H12ClF/c1-6(3-4-9)5-7(2)8/h3,7H,4-5H2,1-2H3
InChIKeyCQYQMNVLOQVNPO-UHFFFAOYSA-N
MW150.62 g/mol
LogP2.92
Rot. Bonds3

About 5-chloro-1-fluoro-3-methylhex-2-ene

5-chloro-1-fluoro-3-methylhex-2-ene (PubChem CID 123220735) has the molecular formula C7H12ClF and a molecular weight of 150.62 g/mol. Its IUPAC name is 5-chloro-1-fluoro-3-methylhex-2-ene.

Molecular Properties

Compound Name5-chloro-1-fluoro-3-methylhex-2-ene
PubChem CID123220735
Molecular FormulaC7H12ClF
Molecular Weight150.62 g/mol
Exact Mass150.06
IUPAC Name5-chloro-1-fluoro-3-methylhex-2-ene
SMILESCC(=CCF)CC(C)Cl
InChIInChI=1S/C7H12ClF/c1-6(3-4-9)5-7(2)8/h3,7H,4-5H2,1-2H3
InChIKeyCQYQMNVLOQVNPO-UHFFFAOYSA-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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Related Compounds

(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
1-(Chloromethyl)cyclopent-1-ene
CID 12914389
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
(2Z)-1-chloro-3-(chloromethyl)-7-methylocta-2,6-diene
CID 13992508
2-Fluorogeranyl chloride
CID 129668172
6-Chloro-1-methylcyclohexene
CID 12550098
(E)-6-chloro-3-methylhex-2-ene
CID 21338183
4-Chloro-2-methyl-2-hexene
CID 129921521
(E)-1-chloro-2-fluorohept-2-ene
CID 21723803
4-Chloro-1-fluorocyclohexene
CID 23443589
2-Chloro-6-methyl-5-octene
CID 53773602
4-Chloro-5-fluoro-1-methylcyclohexa-1,3-diene
CID 66792374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluoro-3-methylhex-2-ene?
The IUPAC name of 5-chloro-1-fluoro-3-methylhex-2-ene (CID 123220735) is 5-chloro-1-fluoro-3-methylhex-2-ene.
What is the SMILES notation for 5-chloro-1-fluoro-3-methylhex-2-ene?
The canonical SMILES for 5-chloro-1-fluoro-3-methylhex-2-ene is CC(=CCF)CC(C)Cl.
What is the InChIKey of 5-chloro-1-fluoro-3-methylhex-2-ene?
The InChIKey is CQYQMNVLOQVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF/c1-6(3-4-9)5-7(2)8/h3,7H,4-5H2,1-2H3.
What are the key properties of 5-chloro-1-fluoro-3-methylhex-2-ene?
5-chloro-1-fluoro-3-methylhex-2-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 5-chloro-1-fluoro-3-methylhex-2-ene is sourced from PubChem (CID 123220735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).