2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

C8H15F2NO — CID 61039737

IUPAC2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)CNCCC1CCCO1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-11-4-3-7-2-1-5-12-7/h7-8,11H,1-6H2
InChIKeyOFHBXDWCIQKAML-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds5

About 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 61039737) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID61039737
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)CNCCC1CCCO1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-11-4-3-7-2-1-5-12-7/h7-8,11H,1-6H2
InChIKeyOFHBXDWCIQKAML-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 61039737) is 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is FC(F)CNCCC1CCCO1.
What is the InChIKey of 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is OFHBXDWCIQKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)6-11-4-3-7-2-1-5-12-7/h7-8,11H,1-6H2.
What are the key properties of 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61039737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).