2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate

C13H16F3NO2 — CID 39871495

IUPAC2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
SMILESCCc1cccc(CC)c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9-6-5-7-10(4-2)11(9)17-12(18)19-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVFGCFMJWJULUED-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.92
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate

2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate (PubChem CID 39871495) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
PubChem CID39871495
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
SMILESCCc1cccc(CC)c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9-6-5-7-10(4-2)11(9)17-12(18)19-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVFGCFMJWJULUED-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate
CID 4689437
2,2,2-trifluoroethyl N-[4-(diethylamino)phenyl]carbamate
CID 63180338
2,2,2-trifluoroethyl N-(2-methylsulfanylphenyl)carbamate
CID 65173338
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
CID 65173666
(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
CID 3423287
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61169225
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate (CID 39871495) is 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate is CCc1cccc(CC)c1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate?
The InChIKey is VFGCFMJWJULUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-9-6-5-7-10(4-2)11(9)17-12(18)19-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate?
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate has a molecular weight of 275.27 g/mol, XLogP of 3.92, 4 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-(2,6-diethylphenyl)carbamate is sourced from PubChem (CID 39871495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).