[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate

C10H8ClF3N2O2 — CID 5466027

IUPAC[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
SMILESC/C(Cl)=N\OC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O2/c1-6(11)16-18-9(17)15-8-5-3-2-4-7(8)10(12,13)14/h2-5H,1H3,(H,15,17)/b16-6+
InChIKeyQUDUBSLQGMYHHT-OMCISZLKSA-N
MW280.63 g/mol
LogP3.83
Rot. Bonds2

About [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate

[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 5466027) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID5466027
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC Name[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
SMILESC/C(Cl)=N\OC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O2/c1-6(11)16-18-9(17)15-8-5-3-2-4-7(8)10(12,13)14/h2-5H,1H3,(H,15,17)/b16-6+
InChIKeyQUDUBSLQGMYHHT-OMCISZLKSA-N
XLogP3.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[(Z)-1,2-dichloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
CID 98107995
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
(Z)-2,3-dichloro-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 7315411
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
2-(2-chloroethoxy)ethyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970608
5-chloropentyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970739
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate (CID 5466027) is [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate is C/C(Cl)=N\OC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is QUDUBSLQGMYHHT-OMCISZLKSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-6(11)16-18-9(17)15-8-5-3-2-4-7(8)10(12,13)14/h2-5H,1H3,(H,15,17)/b16-6+.
What are the key properties of [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate?
[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 280.63 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 5466027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).