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

C9H17F — CID 145493748

IUPAC3-fluoro-2,4-dimethylhept-1-ene
SMILESC=C(C)C(F)C(C)CCC
InChIInChI=1S/C9H17F/c1-5-6-8(4)9(10)7(2)3/h8-9H,2,5-6H2,1,3-4H3
InChIKeyAGKJOSOLDBULCM-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.34
Rot. Bonds4

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

3-fluoro-2,4-dimethylhept-1-ene (PubChem CID 145493748) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethylhept-1-ene.

Molecular Properties

Compound Name3-fluoro-2,4-dimethylhept-1-ene
PubChem CID145493748
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-fluoro-2,4-dimethylhept-1-ene
SMILESC=C(C)C(F)C(C)CCC
InChIInChI=1S/C9H17F/c1-5-6-8(4)9(10)7(2)3/h8-9H,2,5-6H2,1,3-4H3
InChIKeyAGKJOSOLDBULCM-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

(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
2-(1,2-difluoroprop-2-enyl)-3-methylhexanenitrile
CID 163471796
N-ethyl-2,4-dimethylhept-1-en-3-amine
CID 105005538
(2R)-3-methylhexan-2-ol
CID 88692749
1,1,2-trifluoro-3-methylhexan-1-ol
CID 89339704
(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene
CID 145149361
3-methylhexane;2-methylprop-1-ene
CID 165405684
2,3-difluorohex-1-ene
CID 91244132
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
3-fluoro-2,2,4-trimethylheptane
CID 123271530
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethylhept-1-ene?
The IUPAC name of 3-fluoro-2,4-dimethylhept-1-ene (CID 145493748) is 3-fluoro-2,4-dimethylhept-1-ene.
What is the SMILES notation for 3-fluoro-2,4-dimethylhept-1-ene?
The canonical SMILES for 3-fluoro-2,4-dimethylhept-1-ene is C=C(C)C(F)C(C)CCC.
What is the InChIKey of 3-fluoro-2,4-dimethylhept-1-ene?
The InChIKey is AGKJOSOLDBULCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-5-6-8(4)9(10)7(2)3/h8-9H,2,5-6H2,1,3-4H3.
What are the key properties of 3-fluoro-2,4-dimethylhept-1-ene?
3-fluoro-2,4-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-2,4-dimethylhept-1-ene is sourced from PubChem (CID 145493748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).