N-methyl-N-(1,1,2-trichloroethyl)formamide

C4H6Cl3NO — CID 173025448

IUPACN-methyl-N-(1,1,2-trichloroethyl)formamide
SMILESCN(C=O)C(Cl)(Cl)CCl
InChIInChI=1S/C4H6Cl3NO/c1-8(3-9)4(6,7)2-5/h3H,2H2,1H3
InChIKeyQSDZCJKHPXPWTH-UHFFFAOYSA-N
MW190.46 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-N-(1,1,2-trichloroethyl)formamide

N-methyl-N-(1,1,2-trichloroethyl)formamide (PubChem CID 173025448) has the molecular formula C4H6Cl3NO and a molecular weight of 190.46 g/mol. Its IUPAC name is N-methyl-N-(1,1,2-trichloroethyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(1,1,2-trichloroethyl)formamide
PubChem CID173025448
Molecular FormulaC4H6Cl3NO
Molecular Weight190.46 g/mol
Exact Mass188.95
IUPAC NameN-methyl-N-(1,1,2-trichloroethyl)formamide
SMILESCN(C=O)C(Cl)(Cl)CCl
InChIInChI=1S/C4H6Cl3NO/c1-8(3-9)4(6,7)2-5/h3H,2H2,1H3
InChIKeyQSDZCJKHPXPWTH-UHFFFAOYSA-N
XLogP1.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
CID 174821411
N,N-dimethylformamide;molecular chlorine
CID 86751989
2-chloroacetaldehyde;N,N-dimethylmethanamine
CID 174354927
dichloromethane;N,N-dimethylformamide;propan-2-one
CID 172808068
N-(1,1-dimethoxyethyl)-N-methylformamide
CID 88676160
CID 159352431
CID 159352431
1,2,3,4-tetrachloro-3-methylbut-1-ene
CID 71430137
1,1,1,2-tetrachloroethane
CID 12418
N-(dimethylamino)-N-ethylformamide
CID 54127610
N,N-dimethylformamide;ethyl(dimethyl)silane
CID 174953021
2-chloro-2-(chloromethyl)pentanal
CID 13096302
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,1,2-trichloroethyl)formamide?
The IUPAC name of N-methyl-N-(1,1,2-trichloroethyl)formamide (CID 173025448) is N-methyl-N-(1,1,2-trichloroethyl)formamide.
What is the SMILES notation for N-methyl-N-(1,1,2-trichloroethyl)formamide?
The canonical SMILES for N-methyl-N-(1,1,2-trichloroethyl)formamide is CN(C=O)C(Cl)(Cl)CCl.
What is the InChIKey of N-methyl-N-(1,1,2-trichloroethyl)formamide?
The InChIKey is QSDZCJKHPXPWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3NO/c1-8(3-9)4(6,7)2-5/h3H,2H2,1H3.
What are the key properties of N-methyl-N-(1,1,2-trichloroethyl)formamide?
N-methyl-N-(1,1,2-trichloroethyl)formamide has a molecular weight of 190.46 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,1,2-trichloroethyl)formamide is sourced from PubChem (CID 173025448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).