4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene

C9H13F — CID 163743234

IUPAC4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene
SMILESC=CC(C)C1C=CC1(C)F
InChIInChI=1S/C9H13F/c1-4-7(2)8-5-6-9(8,3)10/h4-8H,1H2,2-3H3
InChIKeyLJOYHLBNBOFHIZ-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.72
Rot. Bonds2

About 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene

4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene (PubChem CID 163743234) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene.

Molecular Properties

Compound Name4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene
PubChem CID163743234
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene
SMILESC=CC(C)C1C=CC1(C)F
InChIInChI=1S/C9H13F/c1-4-7(2)8-5-6-9(8,3)10/h4-8H,1H2,2-3H3
InChIKeyLJOYHLBNBOFHIZ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.72
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-[(2S)-but-3-en-2-yl]-1-fluoro-1-methylcyclohexane
CID 142543146
2-(4,4-dimethylcyclobut-2-en-1-yl)propanal
CID 130035312
3-but-3-en-2-yl-1-methylcyclopentan-1-ol
CID 123602415
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
ethane;3-methylpenta-1,4-diene
CID 144868161
ethane;ethene;3-methylbut-1-ene
CID 145381296
6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene
CID 154473465
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 22561154
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
CID 11240621
6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine
CID 142922310

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene?
The IUPAC name of 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene (CID 163743234) is 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene.
What is the SMILES notation for 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene?
The canonical SMILES for 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene is C=CC(C)C1C=CC1(C)F.
What is the InChIKey of 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene?
The InChIKey is LJOYHLBNBOFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-4-7(2)8-5-6-9(8,3)10/h4-8H,1H2,2-3H3.
What are the key properties of 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene?
4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene has a molecular weight of 140.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-3-fluoro-3-methylcyclobutene is sourced from PubChem (CID 163743234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).