1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine

C7H14Cl4N2 — CID 173165265

IUPAC1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine
SMILESC#N.C=C(Cl)Cl.CC(Cl)Cl.CNC
InChIInChI=1S/C2H4Cl2.C2H2Cl2.C2H7N.CHN/c2*1-2(3)4;1-3-2;1-2/h2H,1H3;1H2;3H,1-2H3;1H
InChIKeyFQYBHEMRKNBTPU-UHFFFAOYSA-N
MW268.01 g/mol
LogP3.72
Rot. Bonds

About 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine

1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine (PubChem CID 173165265) has the molecular formula C7H14Cl4N2 and a molecular weight of 268.01 g/mol. Its IUPAC name is 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine.

Molecular Properties

Compound Name1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine
PubChem CID173165265
Molecular FormulaC7H14Cl4N2
Molecular Weight268.01 g/mol
Exact Mass265.99
IUPAC Name1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine
SMILESC#N.C=C(Cl)Cl.CC(Cl)Cl.CNC
InChIInChI=1S/C2H4Cl2.C2H2Cl2.C2H7N.CHN/c2*1-2(3)4;1-3-2;1-2/h2H,1H3;1H2;3H,1-2H3;1H
InChIKeyFQYBHEMRKNBTPU-UHFFFAOYSA-N
XLogP3.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine?
The IUPAC name of 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine (CID 173165265) is 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine.
What is the SMILES notation for 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine?
The canonical SMILES for 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine is C#N.C=C(Cl)Cl.CC(Cl)Cl.CNC.
What is the InChIKey of 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine?
The InChIKey is FQYBHEMRKNBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2.C2H2Cl2.C2H7N.CHN/c2*1-2(3)4;1-3-2;1-2/h2H,1H3;1H2;3H,1-2H3;1H.
What are the key properties of 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine?
1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine has a molecular weight of 268.01 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine is sourced from PubChem (CID 173165265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).