1,1-dichloroethane;urea

C3H8Cl2N2O — CID 158856998

IUPAC1,1-dichloroethane;urea
SMILESCC(Cl)Cl.NC(N)=O
InChIInChI=1S/C2H4Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h2H,1H3;(H4,2,3,4)
InChIKeyJAEJTILEMMWGJI-UHFFFAOYSA-N
MW159.02 g/mol
LogP0.83
Rot. Bonds

About 1,1-dichloroethane;urea

1,1-dichloroethane;urea (PubChem CID 158856998) has the molecular formula C3H8Cl2N2O and a molecular weight of 159.02 g/mol. Its IUPAC name is 1,1-dichloroethane;urea.

Molecular Properties

Compound Name1,1-dichloroethane;urea
PubChem CID158856998
Molecular FormulaC3H8Cl2N2O
Molecular Weight159.02 g/mol
Exact Mass158.00
IUPAC Name1,1-dichloroethane;urea
SMILESCC(Cl)Cl.NC(N)=O
InChIInChI=1S/C2H4Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h2H,1H3;(H4,2,3,4)
InChIKeyJAEJTILEMMWGJI-UHFFFAOYSA-N
XLogP0.83
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.02
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174800234
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butan-2-one;1,1-dichloroethane
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2-isocyanopropane;urea
CID 159942097
2,3-dimethylbutanediamide
CID 55281411
carbamic acid;ethane-1,1-diol
CID 175516501
3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide
CID 173065374
2-chloro-4-methylpentanamide
CID 62224745
N'-(1-chloroethyl)oxamide
CID 175433952
CID 118356908
CID 118356908
barium(2+);urea
CID 22402807

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethane;urea?
The IUPAC name of 1,1-dichloroethane;urea (CID 158856998) is 1,1-dichloroethane;urea.
What is the SMILES notation for 1,1-dichloroethane;urea?
The canonical SMILES for 1,1-dichloroethane;urea is CC(Cl)Cl.NC(N)=O.
What is the InChIKey of 1,1-dichloroethane;urea?
The InChIKey is JAEJTILEMMWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h2H,1H3;(H4,2,3,4).
What are the key properties of 1,1-dichloroethane;urea?
1,1-dichloroethane;urea has a molecular weight of 159.02 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane;urea is sourced from PubChem (CID 158856998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).