2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine

C8H15F2NO — CID 61020958

IUPAC2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCCOC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-4-7-2-1-3-12-6-7/h7-8,11H,1-6H2
InChIKeyFAFJGRPBUGWTNJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds4

About 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine

2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 61020958) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine
PubChem CID61020958
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCCOC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-4-7-2-1-3-12-6-7/h7-8,11H,1-6H2
InChIKeyFAFJGRPBUGWTNJ-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine (CID 61020958) is 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine is FC(F)CNCC1CCCOC1.
What is the InChIKey of 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is FAFJGRPBUGWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)5-11-4-7-2-1-3-12-6-7/h7-8,11H,1-6H2.
What are the key properties of 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine?
2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 61020958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).