2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride

C6H12ClF2NO3 — CID 172639710

IUPAC2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
SMILESCl.O.O=C(C(F)F)C1CNCCO1
InChIInChI=1S/C6H9F2NO2.ClH.H2O/c7-6(8)5(10)4-3-9-1-2-11-4;;/h4,6,9H,1-3H2;1H;1H2
InChIKeySYEXBUAIEUFBKC-UHFFFAOYSA-N
MW219.61 g/mol
LogP-0.59
Rot. Bonds2

About 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride

2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride (PubChem CID 172639710) has the molecular formula C6H12ClF2NO3 and a molecular weight of 219.61 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
PubChem CID172639710
Molecular FormulaC6H12ClF2NO3
Molecular Weight219.61 g/mol
Exact Mass219.05
IUPAC Name2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
SMILESCl.O.O=C(C(F)F)C1CNCCO1
InChIInChI=1S/C6H9F2NO2.ClH.H2O/c7-6(8)5(10)4-3-9-1-2-11-4;;/h4,6,9H,1-3H2;1H;1H2
InChIKeySYEXBUAIEUFBKC-UHFFFAOYSA-N
XLogP-0.59
TPSA69.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.61
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-morpholine-2-carboxamide
CID 51600069
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897
ethane;morpholine-2-carboxylic acid
CID 170608685
ethane;1-morpholin-2-ylethanone
CID 143224838
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride?
The IUPAC name of 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride (CID 172639710) is 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride.
What is the SMILES notation for 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride?
The canonical SMILES for 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride is Cl.O.O=C(C(F)F)C1CNCCO1.
What is the InChIKey of 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride?
The InChIKey is SYEXBUAIEUFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH.H2O/c7-6(8)5(10)4-3-9-1-2-11-4;;/h4,6,9H,1-3H2;1H;1H2.
What are the key properties of 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride?
2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride has a molecular weight of 219.61 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride is sourced from PubChem (CID 172639710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).