2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane

C10H17ClF2O — CID 82009791

IUPAC2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
SMILESCCC1(CC)C(Cl)CC1OCC(F)F
InChIInChI=1S/C10H17ClF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3
InChIKeyHQQUELUJYIUWQC-UHFFFAOYSA-N
MW226.69 g/mol
LogP3.45
Rot. Bonds5

About 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane

2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane (PubChem CID 82009791) has the molecular formula C10H17ClF2O and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
PubChem CID82009791
Molecular FormulaC10H17ClF2O
Molecular Weight226.69 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
SMILESCCC1(CC)C(Cl)CC1OCC(F)F
InChIInChI=1S/C10H17ClF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3
InChIKeyHQQUELUJYIUWQC-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane
CID 103491314
1-(3-chloro-2,2-diethylcyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 66344727
2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane
CID 102988683
2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
CID 66343413
1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene
CID 66345754
2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
CID 103286235
4-(3-chloro-2,2-diethylcyclobutyl)oxy-1-fluoro-2-(trifluoromethyl)benzene
CID 102747760
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
1-(3-chloro-2,2-diethylcyclobutyl)oxy-4-methylsulfonylbenzene
CID 66345158
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66343647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane (CID 82009791) is 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane is CCC1(CC)C(Cl)CC1OCC(F)F.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
The InChIKey is HQQUELUJYIUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2O/c1-3-10(4-2)7(11)5-8(10)14-6-9(12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane?
2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane has a molecular weight of 226.69 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane is sourced from PubChem (CID 82009791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).