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

C11H12BrF3N2O2 — CID 65173773

IUPAC2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(Br)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O2/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)
InChIKeySFVBGFFVLXHKGW-UHFFFAOYSA-N
MW341.13 g/mol
LogP3.63
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate (PubChem CID 65173773) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
PubChem CID65173773
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(Br)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O2/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)
InChIKeySFVBGFFVLXHKGW-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
CID 65173264
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
2,2,2-trifluoroethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81271801
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[5-bromo-2-(dimethylamino)phenyl]-2-(methylamino)propanamide
CID 62639676
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate (CID 65173773) is 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate is CN(C)c1ccc(Br)cc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate?
The InChIKey is SFVBGFFVLXHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/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-bromo-2-(dimethylamino)phenyl]carbamate?
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate has a molecular weight of 341.13 g/mol, XLogP of 3.63, 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-bromo-2-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 65173773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).