3-ethyl-1-fluoro-2-methylcyclobutene

C7H11F — CID 177143063

IUPAC3-ethyl-1-fluoro-2-methylcyclobutene
SMILESCCC1CC(F)=C1C
InChIInChI=1S/C7H11F/c1-3-6-4-7(8)5(6)2/h6H,3-4H2,1-2H3
InChIKeyGAKNPMOSFMQINY-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.66
Rot. Bonds1

About 3-ethyl-1-fluoro-2-methylcyclobutene

3-ethyl-1-fluoro-2-methylcyclobutene (PubChem CID 177143063) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-2-methylcyclobutene.

Molecular Properties

Compound Name3-ethyl-1-fluoro-2-methylcyclobutene
PubChem CID177143063
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name3-ethyl-1-fluoro-2-methylcyclobutene
SMILESCCC1CC(F)=C1C
InChIInChI=1S/C7H11F/c1-3-6-4-7(8)5(6)2/h6H,3-4H2,1-2H3
InChIKeyGAKNPMOSFMQINY-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Trimethylcyclobutene
CID 20534579
2-(Difluoromethyl)-1,3-dimethylcyclobutene
CID 60107906
1-Fluoro-2,4-dimethylcyclopentene
CID 69945873
1-Fluoro-2,3-dimethylcyclopentene
CID 69945913
3-Fluoro-2,5-dimethylhept-2-ene
CID 88876117
3-Fluoro-2,4-dimethylhex-2-ene
CID 142420761
3-Fluoro-2,5-dimethylhex-2-ene
CID 143626070
3-Ethyl-1-fluorocyclobutene
CID 148403465
(E,6S)-4-fluoro-3,6-dimethyloct-3-ene
CID 169898292
3-Fluorobut-2-en-2-ylcyclopropane
CID 174076200
(3R)-1,2,3-trimethylcyclobutene
CID 101916604
3-Ethyl-1,2-dimethylcyclopropene
CID 90829468

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-fluoro-2-methylcyclobutene?
The IUPAC name of 3-ethyl-1-fluoro-2-methylcyclobutene (CID 177143063) is 3-ethyl-1-fluoro-2-methylcyclobutene.
What is the SMILES notation for 3-ethyl-1-fluoro-2-methylcyclobutene?
The canonical SMILES for 3-ethyl-1-fluoro-2-methylcyclobutene is CCC1CC(F)=C1C.
What is the InChIKey of 3-ethyl-1-fluoro-2-methylcyclobutene?
The InChIKey is GAKNPMOSFMQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-3-6-4-7(8)5(6)2/h6H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-1-fluoro-2-methylcyclobutene?
3-ethyl-1-fluoro-2-methylcyclobutene has a molecular weight of 114.16 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-2-methylcyclobutene is sourced from PubChem (CID 177143063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).