3-(2-fluoropropan-2-yl)hex-1-ene

C9H17F — CID 177139449

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

About 3-(2-fluoropropan-2-yl)hex-1-ene

3-(2-fluoropropan-2-yl)hex-1-ene (PubChem CID 177139449) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)hex-1-ene.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)hex-1-ene
PubChem CID177139449
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-(2-fluoropropan-2-yl)hex-1-ene
SMILESC=CC(CCC)C(C)(C)F
InChIInChI=1S/C9H17F/c1-5-7-8(6-2)9(3,4)10/h6,8H,2,5,7H2,1,3-4H3
InChIKeyYOBUZZBFUBVXKU-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
6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
3,4,5-Trimethyl-1-hexene
CID 41976
4-Methylhept-1-ene
CID 518713
1-Octene, 6-methyl-
CID 518716
4-Methyl-1-octene
CID 518717
3-Ethyl-1-hexene
CID 103003
3-Ethyl-4-methylpent-1-ene
CID 143842
(5S)-5-Methylhept-1-ene
CID 12567238

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)hex-1-ene?
The IUPAC name of 3-(2-fluoropropan-2-yl)hex-1-ene (CID 177139449) is 3-(2-fluoropropan-2-yl)hex-1-ene.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)hex-1-ene?
The canonical SMILES for 3-(2-fluoropropan-2-yl)hex-1-ene is C=CC(CCC)C(C)(C)F.
What is the InChIKey of 3-(2-fluoropropan-2-yl)hex-1-ene?
The InChIKey is YOBUZZBFUBVXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-5-7-8(6-2)9(3,4)10/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)hex-1-ene?
3-(2-fluoropropan-2-yl)hex-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-(2-fluoropropan-2-yl)hex-1-ene is sourced from PubChem (CID 177139449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).