2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate

C13H16F3NO2 — CID 61067503

IUPAC2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H16F3NO2/c1-8-4-5-11(9(2)6-8)10(3)17-12(18)19-7-13(14,15)16/h4-6,10H,7H2,1-3H3,(H,17,18)
InChIKeyLZTRZSDIPBRTLN-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.65
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate (PubChem CID 61067503) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
PubChem CID61067503
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H16F3NO2/c1-8-4-5-11(9(2)6-8)10(3)17-12(18)19-7-13(14,15)16/h4-6,10H,7H2,1-3H3,(H,17,18)
InChIKeyLZTRZSDIPBRTLN-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
CID 65173391
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 51391487
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
CID 39871502
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
CID 65290863
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate (CID 61067503) is 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate is Cc1ccc(C(C)NC(=O)OCC(F)(F)F)c(C)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The InChIKey is LZTRZSDIPBRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8-4-5-11(9(2)6-8)10(3)17-12(18)19-7-13(14,15)16/h4-6,10H,7H2,1-3H3,(H,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate has a molecular weight of 275.27 g/mol, XLogP of 3.65, 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-(2,4-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 61067503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).