3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

C10H19F2NO — CID 82009208

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(OCC(F)F)C1(C)C
InChIInChI=1S/C10H19F2NO/c1-4-13-7-5-8(10(7,2)3)14-6-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyHSEJFYVQFCYTEI-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.04
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 82009208) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID82009208
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(OCC(F)F)C1(C)C
InChIInChI=1S/C10H19F2NO/c1-4-13-7-5-8(10(7,2)3)14-6-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyHSEJFYVQFCYTEI-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 82009208) is 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(OCC(F)F)C1(C)C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HSEJFYVQFCYTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-13-7-5-8(10(7,2)3)14-6-9(11)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 82009208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).