2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate

C10H11BrF3NO2S — CID 65173732

IUPAC2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccc(Br)s1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-15(5-7-3-4-8(11)18-7)9(16)17-6-10(12,13)14/h3-4H,2,5-6H2,1H3
InChIKeyQAVMBSVKMCWKNS-UHFFFAOYSA-N
MW346.17 g/mol
LogP4.03
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate

2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate (PubChem CID 65173732) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate
PubChem CID65173732
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Name2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccc(Br)s1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-15(5-7-3-4-8(11)18-7)9(16)17-6-10(12,13)14/h3-4H,2,5-6H2,1H3
InChIKeyQAVMBSVKMCWKNS-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
2,2,2-trifluoroethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 45835091
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 55028938
2-[(5-Bromothiophen-2-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 60302207
N-[(5-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 60697524
2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 60705708
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate
CID 60705726
2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
CID 60705883
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60733402
Methyl 3-[(5-bromothiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 60795004
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate
CID 61068320

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate (CID 65173732) is 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate is CCN(Cc1ccc(Br)s1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate?
The InChIKey is QAVMBSVKMCWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-2-15(5-7-3-4-8(11)18-7)9(16)17-6-10(12,13)14/h3-4H,2,5-6H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate?
2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate has a molecular weight of 346.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]-N-ethylcarbamate is sourced from PubChem (CID 65173732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).