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

C7H13F2NO — CID 61039221

IUPAC2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-3-6-1-2-11-5-6/h6-7,10H,1-5H2
InChIKeyLYCHXBUVIGYTAA-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds4

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

2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 61039221) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID61039221
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-3-6-1-2-11-5-6/h6-7,10H,1-5H2
InChIKeyLYCHXBUVIGYTAA-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
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-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine (CID 61039221) is 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine is FC(F)CNCC1CCOC1.
What is the InChIKey of 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is LYCHXBUVIGYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-10-3-6-1-2-11-5-6/h6-7,10H,1-5H2.
What are the key properties of 2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine?
2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 165.18 g/mol, XLogP of 0.88, 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-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 61039221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).