8-chloro-3-fluoro-7-methyloct-3-ene

C9H16ClF — CID 91523408

IUPAC8-chloro-3-fluoro-7-methyloct-3-ene
SMILESCCC(F)=CCCC(C)CCl
InChIInChI=1S/C9H16ClF/c1-3-9(11)6-4-5-8(2)7-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGAXDPPGOICWKEJ-UHFFFAOYSA-N
MW178.68 g/mol
LogP3.90
Rot. Bonds5

About 8-chloro-3-fluoro-7-methyloct-3-ene

8-chloro-3-fluoro-7-methyloct-3-ene (PubChem CID 91523408) has the molecular formula C9H16ClF and a molecular weight of 178.68 g/mol. Its IUPAC name is 8-chloro-3-fluoro-7-methyloct-3-ene.

Molecular Properties

Compound Name8-chloro-3-fluoro-7-methyloct-3-ene
PubChem CID91523408
Molecular FormulaC9H16ClF
Molecular Weight178.68 g/mol
Exact Mass178.09
IUPAC Name8-chloro-3-fluoro-7-methyloct-3-ene
SMILESCCC(F)=CCCC(C)CCl
InChIInChI=1S/C9H16ClF/c1-3-9(11)6-4-5-8(2)7-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGAXDPPGOICWKEJ-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.68
LogP ≤ 53.90
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 8-chloro-3-fluoro-7-methyloct-3-ene?
The IUPAC name of 8-chloro-3-fluoro-7-methyloct-3-ene (CID 91523408) is 8-chloro-3-fluoro-7-methyloct-3-ene.
What is the SMILES notation for 8-chloro-3-fluoro-7-methyloct-3-ene?
The canonical SMILES for 8-chloro-3-fluoro-7-methyloct-3-ene is CCC(F)=CCCC(C)CCl.
What is the InChIKey of 8-chloro-3-fluoro-7-methyloct-3-ene?
The InChIKey is GAXDPPGOICWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF/c1-3-9(11)6-4-5-8(2)7-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 8-chloro-3-fluoro-7-methyloct-3-ene?
8-chloro-3-fluoro-7-methyloct-3-ene has a molecular weight of 178.68 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-fluoro-7-methyloct-3-ene is sourced from PubChem (CID 91523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).