2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate

C10H10Cl3NO3 — CID 132518639

IUPAC2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate
SMILESCON(C(=O)OCC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H10Cl3NO3/c1-16-14(8-5-3-2-4-6-8)9(15)17-7-10(11,12)13/h2-6H,7H2,1H3
InChIKeyRJTMZHDFGNFXNT-UHFFFAOYSA-N
MW298.55 g/mol
LogP3.56
Rot. Bonds3

About 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate

2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate (PubChem CID 132518639) has the molecular formula C10H10Cl3NO3 and a molecular weight of 298.55 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate
PubChem CID132518639
Molecular FormulaC10H10Cl3NO3
Molecular Weight298.55 g/mol
Exact Mass296.97
IUPAC Name2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate
SMILESCON(C(=O)OCC(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H10Cl3NO3/c1-16-14(8-5-3-2-4-6-8)9(15)17-7-10(11,12)13/h2-6H,7H2,1H3
InChIKeyRJTMZHDFGNFXNT-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-phenylurea
CID 15620442
1,3-dimethoxy-1,3-diphenylurea
CID 141165239
2,2,2-trichloroethyl N-benzyl-N-(3-phenylpropyl)carbamate
CID 102476943
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
2,2,2-trichloroethyl N-[4-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cyclopentyl]-N-methylcarbamate
CID 70601169
N-methoxy-N-phenylprop-2-enamide
CID 11816178
2,2,2-trichloroethyl N-[(N-benzylanilino)methyl]carbamate
CID 162411860
methyl (2R,3S)-2-hydroxy-3-phenyl-3-(2,2,2-trichloroethoxycarbonylamino)propanoate
CID 11545199
methyl (2S)-2-amino-5-[phenylmethoxy(2,2,2-trichloroethoxycarbonyl)amino]pentanoate
CID 14780277
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
2,2,2-trichloroethyl N-[6-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cycloheptyl]-N-methylcarbamate
CID 70592099
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate?
The IUPAC name of 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate (CID 132518639) is 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate is CON(C(=O)OCC(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate?
The InChIKey is RJTMZHDFGNFXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO3/c1-16-14(8-5-3-2-4-6-8)9(15)17-7-10(11,12)13/h2-6H,7H2,1H3.
What are the key properties of 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate?
2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate has a molecular weight of 298.55 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate is sourced from PubChem (CID 132518639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).