2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate

C10H12F3NO2S — CID 103280983

IUPAC2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate
SMILESCCc1ccc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-2-7-3-4-8(17-7)5-14-9(15)16-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyQCXYYQKBOBMVPF-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.10
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate (PubChem CID 103280983) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate
PubChem CID103280983
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate
SMILESCCc1ccc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-2-7-3-4-8(17-7)5-14-9(15)16-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyQCXYYQKBOBMVPF-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
CID 174738943
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
CID 134949716
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]carbamate
CID 45792050
2,2,2-trifluoroethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 45835091
2,2,2-trifluoroethyl N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]carbamate
CID 47016229

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate (CID 103280983) is 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate is CCc1ccc(CNC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate?
The InChIKey is QCXYYQKBOBMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-7-3-4-8(17-7)5-14-9(15)16-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(5-ethylthiophen-2-yl)methyl]carbamate has a molecular weight of 267.27 g/mol, XLogP of 3.10, 4 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-ethylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 103280983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).