3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine

C9H17F2NO — CID 82008859

IUPAC3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-3-12-7-4-8(5-7)13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyVAORRUIRAQANMP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine

3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine (PubChem CID 82008859) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine
PubChem CID82008859
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-3-12-7-4-8(5-7)13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyVAORRUIRAQANMP-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
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-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine (CID 82008859) is 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine?
The InChIKey is VAORRUIRAQANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-3-12-7-4-8(5-7)13-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 6 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-propylcyclobutan-1-amine is sourced from PubChem (CID 82008859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).