2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate

C11H11ClF3NO2 — CID 65173391

IUPAC2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c1-7(8-4-2-3-5-9(8)12)16-10(17)18-6-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGIKGSHBRNPWCBJ-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.69
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate (PubChem CID 65173391) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
PubChem CID65173391
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c1-7(8-4-2-3-5-9(8)12)16-10(17)18-6-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGIKGSHBRNPWCBJ-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate (CID 65173391) is 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate is CC(NC(=O)OCC(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is GIKGSHBRNPWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-7(8-4-2-3-5-9(8)12)16-10(17)18-6-11(13,14)15/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 281.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 65173391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).