4-(chloromethyl)-6,6-difluorooct-1-ene

C9H15ClF2 — CID 165443006

IUPAC4-(chloromethyl)-6,6-difluorooct-1-ene
SMILESC=CCC(CCl)CC(F)(F)CC
InChIInChI=1S/C9H15ClF2/c1-3-5-8(7-10)6-9(11,12)4-2/h3,8H,1,4-7H2,2H3
InChIKeyICOYTBHKQRFJRI-UHFFFAOYSA-N
MW196.67 g/mol
LogP3.85
Rot. Bonds6

About 4-(chloromethyl)-6,6-difluorooct-1-ene

4-(chloromethyl)-6,6-difluorooct-1-ene (PubChem CID 165443006) has the molecular formula C9H15ClF2 and a molecular weight of 196.67 g/mol. Its IUPAC name is 4-(chloromethyl)-6,6-difluorooct-1-ene.

Molecular Properties

Compound Name4-(chloromethyl)-6,6-difluorooct-1-ene
PubChem CID165443006
Molecular FormulaC9H15ClF2
Molecular Weight196.67 g/mol
Exact Mass196.08
IUPAC Name4-(chloromethyl)-6,6-difluorooct-1-ene
SMILESC=CCC(CCl)CC(F)(F)CC
InChIInChI=1S/C9H15ClF2/c1-3-5-8(7-10)6-9(11,12)4-2/h3,8H,1,4-7H2,2H3
InChIKeyICOYTBHKQRFJRI-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.67
LogP ≤ 53.85
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 4-(chloromethyl)-6,6-difluorooct-1-ene?
The IUPAC name of 4-(chloromethyl)-6,6-difluorooct-1-ene (CID 165443006) is 4-(chloromethyl)-6,6-difluorooct-1-ene.
What is the SMILES notation for 4-(chloromethyl)-6,6-difluorooct-1-ene?
The canonical SMILES for 4-(chloromethyl)-6,6-difluorooct-1-ene is C=CCC(CCl)CC(F)(F)CC.
What is the InChIKey of 4-(chloromethyl)-6,6-difluorooct-1-ene?
The InChIKey is ICOYTBHKQRFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2/c1-3-5-8(7-10)6-9(11,12)4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 4-(chloromethyl)-6,6-difluorooct-1-ene?
4-(chloromethyl)-6,6-difluorooct-1-ene has a molecular weight of 196.67 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6,6-difluorooct-1-ene is sourced from PubChem (CID 165443006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).