1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone

C7H12F2N2O2 — CID 103840827

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
SMILESNCC1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-4,10H2
InChIKeyFUPRJTKWXAGMEX-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.56
Rot. Bonds2

About 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone

1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone (PubChem CID 103840827) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
PubChem CID103840827
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
SMILESNCC1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-4,10H2
InChIKeyFUPRJTKWXAGMEX-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
CID 61336421
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
1-[2-(aminomethyl)morpholin-4-yl]but-2-yn-1-one
CID 107990828
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone (CID 103840827) is 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone is NCC1CN(C(=O)C(F)F)CCO1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone?
The InChIKey is FUPRJTKWXAGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-4,10H2.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone?
1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone has a molecular weight of 194.18 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone is sourced from PubChem (CID 103840827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).