3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine

C14H25F2NO — CID 82009209

IUPAC3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OCC(F)F)C12CCCCC2
InChIInChI=1S/C14H25F2NO/c1-2-8-17-11-9-12(18-10-13(15)16)14(11)6-4-3-5-7-14/h11-13,17H,2-10H2,1H3
InChIKeyRJOCKUMTWQMUFU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine

3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine (PubChem CID 82009209) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine
PubChem CID82009209
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OCC(F)F)C12CCCCC2
InChIInChI=1S/C14H25F2NO/c1-2-8-17-11-9-12(18-10-13(15)16)14(11)6-4-3-5-7-14/h11-13,17H,2-10H2,1H3
InChIKeyRJOCKUMTWQMUFU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
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-propylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine (CID 82009209) is 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine is CCCNC1CC(OCC(F)F)C12CCCCC2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine?
The InChIKey is RJOCKUMTWQMUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-2-8-17-11-9-12(18-10-13(15)16)14(11)6-4-3-5-7-14/h11-13,17H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine?
3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 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-propylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 82009209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).