1-fluoro-2,4-dimethylhept-3-ene

C9H17F — CID 155390379

IUPAC1-fluoro-2,4-dimethylhept-3-ene
SMILESCCCC(C)=CC(C)CF
InChIInChI=1S/C9H17F/c1-4-5-8(2)6-9(3)7-10/h6,9H,4-5,7H2,1-3H3
InChIKeyFMDIBJAFHNKFLH-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.34
Rot. Bonds4

About 1-fluoro-2,4-dimethylhept-3-ene

1-fluoro-2,4-dimethylhept-3-ene (PubChem CID 155390379) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethylhept-3-ene.

Molecular Properties

Compound Name1-fluoro-2,4-dimethylhept-3-ene
PubChem CID155390379
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name1-fluoro-2,4-dimethylhept-3-ene
SMILESCCCC(C)=CC(C)CF
InChIInChI=1S/C9H17F/c1-4-5-8(2)6-9(3)7-10/h6,9H,4-5,7H2,1-3H3
InChIKeyFMDIBJAFHNKFLH-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

(E)-3,5-dimethyloct-4-enoic acid
CID 155169082
(2Z,5Z)-8-fluoro-5,7-dimethylocta-2,5-diene
CID 143508838
(E)-3-hydroperoxy-5-methyloct-4-ene
CID 15041468
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
(E)-3,5-dimethyloct-3-ene
CID 169006712
(E)-2,5-dimethyloct-4-ene
CID 173056267
4,6-dimethyloct-4-enal
CID 71411187
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
(Z)-4,7-dimethylnon-4-ene
CID 143531390
4-methyltetradec-3-en-2-ol
CID 71428210
1-iodo-2-methylpent-1-ene
CID 73232688
6-but-3-en-2-yl-4-methylundeca-4,7-diene
CID 173062275

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethylhept-3-ene?
The IUPAC name of 1-fluoro-2,4-dimethylhept-3-ene (CID 155390379) is 1-fluoro-2,4-dimethylhept-3-ene.
What is the SMILES notation for 1-fluoro-2,4-dimethylhept-3-ene?
The canonical SMILES for 1-fluoro-2,4-dimethylhept-3-ene is CCCC(C)=CC(C)CF.
What is the InChIKey of 1-fluoro-2,4-dimethylhept-3-ene?
The InChIKey is FMDIBJAFHNKFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-4-5-8(2)6-9(3)7-10/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 1-fluoro-2,4-dimethylhept-3-ene?
1-fluoro-2,4-dimethylhept-3-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 1-fluoro-2,4-dimethylhept-3-ene is sourced from PubChem (CID 155390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).