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

C7H14F2N2O — CID 115407349

IUPAC2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1COCCN1
InChIInChI=1S/C7H14F2N2O/c8-7(9)4-10-3-6-5-12-2-1-11-6/h6-7,10-11H,1-5H2
InChIKeyGDJIVVFIIHRCQB-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.17
Rot. Bonds4

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

2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine (PubChem CID 115407349) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine
PubChem CID115407349
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine
SMILESFC(F)CNCC1COCCN1
InChIInChI=1S/C7H14F2N2O/c8-7(9)4-10-3-6-5-12-2-1-11-6/h6-7,10-11H,1-5H2
InChIKeyGDJIVVFIIHRCQB-UHFFFAOYSA-N
XLogP-0.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine (CID 115407349) is 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine is FC(F)CNCC1COCCN1.
What is the InChIKey of 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine?
The InChIKey is GDJIVVFIIHRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c8-7(9)4-10-3-6-5-12-2-1-11-6/h6-7,10-11H,1-5H2.
What are the key properties of 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine?
2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine has a molecular weight of 180.20 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(morpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115407349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).