[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate

C10H7Cl2F3N2O2 — CID 98107995

IUPAC[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)O/N=C(\Cl)CCl
InChIInChI=1S/C10H7Cl2F3N2O2/c11-5-8(12)17-19-9(18)16-7-4-2-1-3-6(7)10(13,14)15/h1-4H,5H2,(H,16,18)/b17-8-
InChIKeyMSCCQAZNRMGDGY-IUXPMGMMSA-N
MW315.08 g/mol
LogP4.05
Rot. Bonds3

About [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate

[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 98107995) has the molecular formula C10H7Cl2F3N2O2 and a molecular weight of 315.08 g/mol. Its IUPAC name is [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID98107995
Molecular FormulaC10H7Cl2F3N2O2
Molecular Weight315.08 g/mol
Exact Mass313.98
IUPAC Name[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)O/N=C(\Cl)CCl
InChIInChI=1S/C10H7Cl2F3N2O2/c11-5-8(12)17-19-9(18)16-7-4-2-1-3-6(7)10(13,14)15/h1-4H,5H2,(H,16,18)/b17-8-
InChIKeyMSCCQAZNRMGDGY-IUXPMGMMSA-N
XLogP4.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.08
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
CID 5466027
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
2-(2-chloroethoxy)ethyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970608
5-chloropentyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970739
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
(Z)-2,3-dichloro-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 7315411
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate (CID 98107995) is [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccccc1C(F)(F)F)O/N=C(\Cl)CCl.
What is the InChIKey of [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is MSCCQAZNRMGDGY-IUXPMGMMSA-N. The full InChI is InChI=1S/C10H7Cl2F3N2O2/c11-5-8(12)17-19-9(18)16-7-4-2-1-3-6(7)10(13,14)15/h1-4H,5H2,(H,16,18)/b17-8-.
What are the key properties of [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 315.08 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 98107995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).