N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine

C13H21F2NO — CID 170217635

IUPACN-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine
SMILESFC1(F)CC12CCC(NC1CCCOC1)CC2
InChIInChI=1S/C13H21F2NO/c14-13(15)9-12(13)5-3-10(4-6-12)16-11-2-1-7-17-8-11/h10-11,16H,1-9H2
InChIKeyWIHFGOLBSQPYQQ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.72
Rot. Bonds2

About N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine

N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine (PubChem CID 170217635) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine
PubChem CID170217635
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC NameN-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine
SMILESFC1(F)CC12CCC(NC1CCCOC1)CC2
InChIInChI=1S/C13H21F2NO/c14-13(15)9-12(13)5-3-10(4-6-12)16-11-2-1-7-17-8-11/h10-11,16H,1-9H2
InChIKeyWIHFGOLBSQPYQQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine?
The IUPAC name of N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine (CID 170217635) is N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine.
What is the SMILES notation for N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine?
The canonical SMILES for N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine is FC1(F)CC12CCC(NC1CCCOC1)CC2.
What is the InChIKey of N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine?
The InChIKey is WIHFGOLBSQPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c14-13(15)9-12(13)5-3-10(4-6-12)16-11-2-1-7-17-8-11/h10-11,16H,1-9H2.
What are the key properties of N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine?
N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine has a molecular weight of 245.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorospiro[2.5]octan-6-yl)oxan-3-amine is sourced from PubChem (CID 170217635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).