[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone

C10H10Cl3NO2S — CID 107966329

IUPAC[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCOCC1CCl
InChIInChI=1S/C10H10Cl3NO2S/c11-4-6-5-16-2-1-14(6)10(15)7-3-8(12)17-9(7)13/h3,6H,1-2,4-5H2
InChIKeyJWUQEOJZNMAMQM-UHFFFAOYSA-N
MW314.62 g/mol
LogP3.13
Rot. Bonds2

About [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone

[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107966329) has the molecular formula C10H10Cl3NO2S and a molecular weight of 314.62 g/mol. Its IUPAC name is [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107966329
Molecular FormulaC10H10Cl3NO2S
Molecular Weight314.62 g/mol
Exact Mass312.95
IUPAC Name[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCOCC1CCl
InChIInChI=1S/C10H10Cl3NO2S/c11-4-6-5-16-2-1-14(6)10(15)7-3-8(12)17-9(7)13/h3,6H,1-2,4-5H2
InChIKeyJWUQEOJZNMAMQM-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 107966329) is [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCOCC1CCl.
What is the InChIKey of [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is JWUQEOJZNMAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2S/c11-4-6-5-16-2-1-14(6)10(15)7-3-8(12)17-9(7)13/h3,6H,1-2,4-5H2.
What are the key properties of [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 314.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107966329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).