trifluoromethyl N-thiophen-2-ylcarbamate

C6H4F3NO2S — CID 13164378

IUPACtrifluoromethyl N-thiophen-2-ylcarbamate
SMILESO=C(Nc1cccs1)OC(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)12-5(11)10-4-2-1-3-13-4/h1-3H,(H,10,11)
InChIKeyXUJSUZCUAZGJOQ-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.82
Rot. Bonds1

About trifluoromethyl N-thiophen-2-ylcarbamate

trifluoromethyl N-thiophen-2-ylcarbamate (PubChem CID 13164378) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is trifluoromethyl N-thiophen-2-ylcarbamate.

Molecular Properties

Compound Nametrifluoromethyl N-thiophen-2-ylcarbamate
PubChem CID13164378
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Nametrifluoromethyl N-thiophen-2-ylcarbamate
SMILESO=C(Nc1cccs1)OC(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)12-5(11)10-4-2-1-3-13-4/h1-3H,(H,10,11)
InChIKeyXUJSUZCUAZGJOQ-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thiophen-2-ylcarbamic acid
CID 19432670
CID 162245041
CID 162245041
N-thiophen-2-ylcarbamate
CID 19956166
sodium N-thiophen-2-ylcarbamate
CID 70473734
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673
4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 99986038
1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082399

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-thiophen-2-ylcarbamate?
The IUPAC name of trifluoromethyl N-thiophen-2-ylcarbamate (CID 13164378) is trifluoromethyl N-thiophen-2-ylcarbamate.
What is the SMILES notation for trifluoromethyl N-thiophen-2-ylcarbamate?
The canonical SMILES for trifluoromethyl N-thiophen-2-ylcarbamate is O=C(Nc1cccs1)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-thiophen-2-ylcarbamate?
The InChIKey is XUJSUZCUAZGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)12-5(11)10-4-2-1-3-13-4/h1-3H,(H,10,11).
What are the key properties of trifluoromethyl N-thiophen-2-ylcarbamate?
trifluoromethyl N-thiophen-2-ylcarbamate has a molecular weight of 211.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-thiophen-2-ylcarbamate is sourced from PubChem (CID 13164378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).