N-(2,2-difluoroethyl)oxan-4-amine

C7H13F2NO — CID 60921635

IUPACN-(2,2-difluoroethyl)oxan-4-amine
SMILESFC(F)CNC1CCOCC1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-10-6-1-3-11-4-2-6/h6-7,10H,1-5H2
InChIKeyOENOGYJASIFZOB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds3

About N-(2,2-difluoroethyl)oxan-4-amine

N-(2,2-difluoroethyl)oxan-4-amine (PubChem CID 60921635) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)oxan-4-amine
PubChem CID60921635
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluoroethyl)oxan-4-amine
SMILESFC(F)CNC1CCOCC1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-10-6-1-3-11-4-2-6/h6-7,10H,1-5H2
InChIKeyOENOGYJASIFZOB-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)oxan-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)oxan-4-amine (CID 60921635) is N-(2,2-difluoroethyl)oxan-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)oxan-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)oxan-4-amine is FC(F)CNC1CCOCC1.
What is the InChIKey of N-(2,2-difluoroethyl)oxan-4-amine?
The InChIKey is OENOGYJASIFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)5-10-6-1-3-11-4-2-6/h6-7,10H,1-5H2.
What are the key properties of N-(2,2-difluoroethyl)oxan-4-amine?
N-(2,2-difluoroethyl)oxan-4-amine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)oxan-4-amine is sourced from PubChem (CID 60921635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).