3-ethyl-1,1-difluorocyclobutane

C6H10F2 — CID 67229999

IUPAC3-ethyl-1,1-difluorocyclobutane
SMILESCCC1CC(F)(F)C1
InChIInChI=1S/C6H10F2/c1-2-5-3-6(7,8)4-5/h5H,2-4H2,1H3
InChIKeyJNLYNWBWQAKTEU-UHFFFAOYSA-N
MW120.14 g/mol
LogP2.44
Rot. Bonds1

About 3-ethyl-1,1-difluorocyclobutane

3-ethyl-1,1-difluorocyclobutane (PubChem CID 67229999) has the molecular formula C6H10F2 and a molecular weight of 120.14 g/mol. Its IUPAC name is 3-ethyl-1,1-difluorocyclobutane.

Molecular Properties

Compound Name3-ethyl-1,1-difluorocyclobutane
PubChem CID67229999
Molecular FormulaC6H10F2
Molecular Weight120.14 g/mol
Exact Mass120.08
IUPAC Name3-ethyl-1,1-difluorocyclobutane
SMILESCCC1CC(F)(F)C1
InChIInChI=1S/C6H10F2/c1-2-5-3-6(7,8)4-5/h5H,2-4H2,1H3
InChIKeyJNLYNWBWQAKTEU-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
(3,3-difluorocyclobutyl)methanamine
CID 45480376
ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
CID 144773863
(2-ethyl-4,4-difluorocyclopentyl)methanol
CID 144773469
1,3-diethyl-1-methylcyclobutane
CID 21053928
ethane;ethylcyclopropane
CID 91380076
6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
CID 174342158
2-ethylspiro[3.3]heptane
CID 123395058
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
1-(3,3-difluorocyclobutyl)-N,N-dimethylmethanamine oxide;hydrate
CID 86636558
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-difluorocyclobutane?
The IUPAC name of 3-ethyl-1,1-difluorocyclobutane (CID 67229999) is 3-ethyl-1,1-difluorocyclobutane.
What is the SMILES notation for 3-ethyl-1,1-difluorocyclobutane?
The canonical SMILES for 3-ethyl-1,1-difluorocyclobutane is CCC1CC(F)(F)C1.
What is the InChIKey of 3-ethyl-1,1-difluorocyclobutane?
The InChIKey is JNLYNWBWQAKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2/c1-2-5-3-6(7,8)4-5/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-1,1-difluorocyclobutane?
3-ethyl-1,1-difluorocyclobutane has a molecular weight of 120.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-difluorocyclobutane is sourced from PubChem (CID 67229999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).