2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate

C11H12F3NO2S — CID 61068320

IUPAC2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCC(F)(F)F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15(8-3-4-8)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2
InChIKeyMUMWSDIBEQVHHC-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.41
Rot. Bonds4

About 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 61068320) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID61068320
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCC(F)(F)F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15(8-3-4-8)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2
InChIKeyMUMWSDIBEQVHHC-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2,2,2-trifluoroethyl N-[(thiophen-2-yl)methyl]carbamate
CID 9450078
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]-1,3-oxazolidin-2-one
CID 153524607
ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
CID 135067513
Ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate
CID 3065861
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]carbamate
CID 45792050
N-cyclopropyl-3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45810013
2,2,2-trifluoroethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 45835091
2,2,2-trifluoroethyl N-(1-thiophen-2-ylethyl)carbamate
CID 47079438

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate (CID 61068320) is 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate is O=C(OCC(F)(F)F)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is MUMWSDIBEQVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15(8-3-4-8)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 279.28 g/mol, XLogP of 3.41, 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-cyclopropyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 61068320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).