2-chloroacetyl chloride;dimorpholin-4-ylmethanone

C11H18Cl2N2O4 — CID 174889845

IUPAC2-chloroacetyl chloride;dimorpholin-4-ylmethanone
SMILESO=C(Cl)CCl.O=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O3.C2H2Cl2O/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;3-1-2(4)5/h1-8H2;1H2
InChIKeyPUSYVZNHAGUGJP-UHFFFAOYSA-N
MW313.18 g/mol
LogP0.76
Rot. Bonds1

About 2-chloroacetyl chloride;dimorpholin-4-ylmethanone

2-chloroacetyl chloride;dimorpholin-4-ylmethanone (PubChem CID 174889845) has the molecular formula C11H18Cl2N2O4 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-chloroacetyl chloride;dimorpholin-4-ylmethanone.

Molecular Properties

Compound Name2-chloroacetyl chloride;dimorpholin-4-ylmethanone
PubChem CID174889845
Molecular FormulaC11H18Cl2N2O4
Molecular Weight313.18 g/mol
Exact Mass312.06
IUPAC Name2-chloroacetyl chloride;dimorpholin-4-ylmethanone
SMILESO=C(Cl)CCl.O=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O3.C2H2Cl2O/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;3-1-2(4)5/h1-8H2;1H2
InChIKeyPUSYVZNHAGUGJP-UHFFFAOYSA-N
XLogP0.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid
CID 14143339
(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
CID 59620107
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 112723430
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
2-chloro-1-(1,6-dioxa-3,9-diazacycloundec-3-yl)ethanone
CID 167204900
morpholin-4-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115667104
1-(morpholine-4-carbonyl)azetidine-3-carboxamide
CID 158069927
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;dimorpholin-4-ylmethanone?
The IUPAC name of 2-chloroacetyl chloride;dimorpholin-4-ylmethanone (CID 174889845) is 2-chloroacetyl chloride;dimorpholin-4-ylmethanone.
What is the SMILES notation for 2-chloroacetyl chloride;dimorpholin-4-ylmethanone?
The canonical SMILES for 2-chloroacetyl chloride;dimorpholin-4-ylmethanone is O=C(Cl)CCl.O=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2-chloroacetyl chloride;dimorpholin-4-ylmethanone?
The InChIKey is PUSYVZNHAGUGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.C2H2Cl2O/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;3-1-2(4)5/h1-8H2;1H2.
What are the key properties of 2-chloroacetyl chloride;dimorpholin-4-ylmethanone?
2-chloroacetyl chloride;dimorpholin-4-ylmethanone has a molecular weight of 313.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;dimorpholin-4-ylmethanone is sourced from PubChem (CID 174889845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).