2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate

C11H12F3NO4S — CID 65173666

IUPAC2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
SMILESCCS(=O)(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO4S/c1-2-20(17,18)9-5-3-8(4-6-9)15-10(16)19-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFCNCKEUGELIEKW-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.59
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate

2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate (PubChem CID 65173666) has the molecular formula C11H12F3NO4S and a molecular weight of 311.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
PubChem CID65173666
Molecular FormulaC11H12F3NO4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Name2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
SMILESCCS(=O)(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO4S/c1-2-20(17,18)9-5-3-8(4-6-9)15-10(16)19-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFCNCKEUGELIEKW-UHFFFAOYSA-N
XLogP2.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[4-(diethylamino)phenyl]carbamate
CID 63180338
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
2,2,2-trifluoroethyl 4-(methoxycarbonylamino)benzenesulfonate
CID 3391907
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate
CID 65173487
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate (CID 65173666) is 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate is CCS(=O)(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate?
The InChIKey is FCNCKEUGELIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S/c1-2-20(17,18)9-5-3-8(4-6-9)15-10(16)19-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate?
2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate has a molecular weight of 311.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate is sourced from PubChem (CID 65173666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).