2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate

C11H14F3NO2S — CID 61066824

IUPAC2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
SMILESCc1ccc(C(C)N(C)C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7-4-5-9(18-7)8(2)15(3)10(16)17-6-11(12,13)14/h4-5,8H,6H2,1-3H3
InChIKeyVYCZXIVQEQEDMF-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.75
Rot. Bonds3

About 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate (PubChem CID 61066824) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
PubChem CID61066824
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
SMILESCc1ccc(C(C)N(C)C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7-4-5-9(18-7)8(2)15(3)10(16)17-6-11(12,13)14/h4-5,8H,6H2,1-3H3
InChIKeyVYCZXIVQEQEDMF-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 94669641
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 54873112
2-methyl-4-[methyl-[1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950012
tert-butyl N-[(2S)-1-[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95181597
2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 79527109

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate (CID 61066824) is 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate is Cc1ccc(C(C)N(C)C(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The InChIKey is VYCZXIVQEQEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7-4-5-9(18-7)8(2)15(3)10(16)17-6-11(12,13)14/h4-5,8H,6H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.75, 3 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-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 61066824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).