3-fluoro-3,4-dimethylhept-1-ene

C9H17F — CID 123589890

IUPAC3-fluoro-3,4-dimethylhept-1-ene
SMILESC=CC(C)(F)C(C)CCC
InChIInChI=1S/C9H17F/c1-5-7-8(3)9(4,10)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyZFSJNZNBUWJOJR-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.34
Rot. Bonds4

About 3-fluoro-3,4-dimethylhept-1-ene

3-fluoro-3,4-dimethylhept-1-ene (PubChem CID 123589890) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-fluoro-3,4-dimethylhept-1-ene.

Molecular Properties

Compound Name3-fluoro-3,4-dimethylhept-1-ene
PubChem CID123589890
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-fluoro-3,4-dimethylhept-1-ene
SMILESC=CC(C)(F)C(C)CCC
InChIInChI=1S/C9H17F/c1-5-7-8(3)9(4,10)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyZFSJNZNBUWJOJR-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
1-Heptene, 5-methyl-
CID 99888
3,4,5-Trimethyl-1-hexene
CID 41976
4-Methylhept-1-ene
CID 518713
3-Ethyl-1-hexene
CID 103003
3-Ethyl-4-methylpent-1-ene
CID 143842
(5S)-5-Methylhept-1-ene
CID 12567238
4,6-Dimethylhept-1-ene
CID 13437467
4-Methyl-1,7-octadiene
CID 527089
3,4-Diethylhexa-1,5-diene
CID 21283921
4-Diallyl butane
CID 56619945

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dimethylhept-1-ene?
The IUPAC name of 3-fluoro-3,4-dimethylhept-1-ene (CID 123589890) is 3-fluoro-3,4-dimethylhept-1-ene.
What is the SMILES notation for 3-fluoro-3,4-dimethylhept-1-ene?
The canonical SMILES for 3-fluoro-3,4-dimethylhept-1-ene is C=CC(C)(F)C(C)CCC.
What is the InChIKey of 3-fluoro-3,4-dimethylhept-1-ene?
The InChIKey is ZFSJNZNBUWJOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-5-7-8(3)9(4,10)6-2/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of 3-fluoro-3,4-dimethylhept-1-ene?
3-fluoro-3,4-dimethylhept-1-ene has a molecular weight of 144.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dimethylhept-1-ene is sourced from PubChem (CID 123589890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).