3-fluoro-4-methylpent-1-ene

C6H11F — CID 154549963

IUPAC3-fluoro-4-methylpent-1-ene
SMILESC=CC(F)C(C)C
InChIInChI=1S/C6H11F/c1-4-6(7)5(2)3/h4-6H,1H2,2-3H3
InChIKeyXHNBFANMMGGLDD-UHFFFAOYSA-N
MW102.15 g/mol
LogP2.17
Rot. Bonds2

About 3-fluoro-4-methylpent-1-ene

3-fluoro-4-methylpent-1-ene (PubChem CID 154549963) has the molecular formula C6H11F and a molecular weight of 102.15 g/mol. Its IUPAC name is 3-fluoro-4-methylpent-1-ene.

Molecular Properties

Compound Name3-fluoro-4-methylpent-1-ene
PubChem CID154549963
Molecular FormulaC6H11F
Molecular Weight102.15 g/mol
Exact Mass102.08
IUPAC Name3-fluoro-4-methylpent-1-ene
SMILESC=CC(F)C(C)C
InChIInChI=1S/C6H11F/c1-4-6(7)5(2)3/h4-6H,1H2,2-3H3
InChIKeyXHNBFANMMGGLDD-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.15
LogP ≤ 52.17
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-fluoro-3-methylpent-1-ene
CID 123956032
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032
3,4-dimethylhexa-1,5-diene
CID 521244
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
3,4,7,8-tetramethylnona-1,5-diene
CID 123537739
3-methylbut-1-ene;hydrobromide
CID 158395600
5,5,5-trifluoro-3,4-dimethylpent-1-ene
CID 162565604
3-(difluoromethyl)-5,5-difluoro-4-methylpent-1-ene
CID 123767607
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
(2S)-but-3-en-2-amine
CID 10034575

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpent-1-ene?
The IUPAC name of 3-fluoro-4-methylpent-1-ene (CID 154549963) is 3-fluoro-4-methylpent-1-ene.
What is the SMILES notation for 3-fluoro-4-methylpent-1-ene?
The canonical SMILES for 3-fluoro-4-methylpent-1-ene is C=CC(F)C(C)C.
What is the InChIKey of 3-fluoro-4-methylpent-1-ene?
The InChIKey is XHNBFANMMGGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F/c1-4-6(7)5(2)3/h4-6H,1H2,2-3H3.
What are the key properties of 3-fluoro-4-methylpent-1-ene?
3-fluoro-4-methylpent-1-ene has a molecular weight of 102.15 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpent-1-ene is sourced from PubChem (CID 154549963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).