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

C11H21F2NO — CID 82010281

IUPAC3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1(C)C
InChIInChI=1S/C11H21F2NO/c1-4-5-14-8-6-9(11(8,2)3)15-7-10(12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyDNSNJZXGQHLRRT-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.43
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 82010281) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID82010281
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)F)C1(C)C
InChIInChI=1S/C11H21F2NO/c1-4-5-14-8-6-9(11(8,2)3)15-7-10(12)13/h8-10,14H,4-7H2,1-3H3
InChIKeyDNSNJZXGQHLRRT-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.43
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)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 82010281) is 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(OCC(F)F)C1(C)C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is DNSNJZXGQHLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-5-14-8-6-9(11(8,2)3)15-7-10(12)13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.43, 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)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 82010281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).