ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane

C10H20F2O — CID 144773863

IUPACethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
SMILESCC.CCOCCC1CC(F)(F)C1
InChIInChI=1S/C8H14F2O.C2H6/c1-2-11-4-3-7-5-8(9,10)6-7;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyJJHDZFWPUHPOHD-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.48
Rot. Bonds4

About ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane

ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane (PubChem CID 144773863) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane.

Molecular Properties

Compound Nameethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
PubChem CID144773863
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Nameethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
SMILESCC.CCOCCC1CC(F)(F)C1
InChIInChI=1S/C8H14F2O.C2H6/c1-2-11-4-3-7-5-8(9,10)6-7;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyJJHDZFWPUHPOHD-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyethyl)oxetane
CID 67567831
1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
CID 134545035
ethane;2-(3-ethoxypropyl)-7-ethyl-7-azaspiro[3.5]nonane
CID 164567078
3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
CID 112564075
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
CID 121204146
diethyl 2-[(3,3-difluorocyclobutyl)methyl]propanedioate
CID 90081340
2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 170042273
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
1,2-diethoxyethane;hydrofluoride
CID 175535770

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane?
The IUPAC name of ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane (CID 144773863) is ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane.
What is the SMILES notation for ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane?
The canonical SMILES for ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane is CC.CCOCCC1CC(F)(F)C1.
What is the InChIKey of ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane?
The InChIKey is JJHDZFWPUHPOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O.C2H6/c1-2-11-4-3-7-5-8(9,10)6-7;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane?
ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane has a molecular weight of 194.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane is sourced from PubChem (CID 144773863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).