3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine

C10H17F2NO — CID 82010651

IUPAC3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCC(F)F)C12CCCC2
InChIInChI=1S/C10H17F2NO/c11-9(12)6-14-8-5-7(13)10(8)3-1-2-4-10/h7-9H,1-6,13H2
InChIKeyZPJCANWGCXQDNV-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.93
Rot. Bonds3

About 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine

3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine (PubChem CID 82010651) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine
PubChem CID82010651
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCC(F)F)C12CCCC2
InChIInChI=1S/C10H17F2NO/c11-9(12)6-14-8-5-7(13)10(8)3-1-2-4-10/h7-9H,1-6,13H2
InChIKeyZPJCANWGCXQDNV-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.93
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)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine (CID 82010651) is 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine is NC1CC(OCC(F)F)C12CCCC2.
What is the InChIKey of 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine?
The InChIKey is ZPJCANWGCXQDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-9(12)6-14-8-5-7(13)10(8)3-1-2-4-10/h7-9H,1-6,13H2.
What are the key properties of 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine?
3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine has a molecular weight of 205.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 82010651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).