2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate

C11H12ClF3N2O2 — CID 65173264

IUPAC2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(Cl)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c1-17(2)9-4-3-7(12)5-8(9)16-10(18)19-6-11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyVGKQJQLNWXDEAL-UHFFFAOYSA-N
MW296.68 g/mol
LogP3.52
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate

2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate (PubChem CID 65173264) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
PubChem CID65173264
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(Cl)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c1-17(2)9-4-3-7(12)5-8(9)16-10(18)19-6-11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyVGKQJQLNWXDEAL-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
5-chloro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170588
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
2,2,2-trifluoroethyl N-(2,3,4-trifluorophenyl)carbamate
CID 39871456
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate (CID 65173264) is 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate is CN(C)c1ccc(Cl)cc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate?
The InChIKey is VGKQJQLNWXDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-17(2)9-4-3-7(12)5-8(9)16-10(18)19-6-11(13,14)15/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate?
2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate has a molecular weight of 296.68 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 65173264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).