tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate

C13H20FNO2S — CID 146612126

IUPACtert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
SMILESCCCN(Cc1cc(F)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20FNO2S/c1-5-6-15(12(16)17-13(2,3)4)8-11-7-10(14)9-18-11/h7,9H,5-6,8H2,1-4H3
InChIKeyGPUDNPOZNYFVPO-UHFFFAOYSA-N
MW273.37 g/mol
LogP4.03
Rot. Bonds4

About tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate

tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate (PubChem CID 146612126) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
PubChem CID146612126
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC Nametert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
SMILESCCCN(Cc1cc(F)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20FNO2S/c1-5-6-15(12(16)17-13(2,3)4)8-11-7-10(14)9-18-11/h7,9H,5-6,8H2,1-4H3
InChIKeyGPUDNPOZNYFVPO-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 ≤ 500273.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
5-Methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 164676148
1,1-Dimethylethyl 2-fluoro-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 73554390
2-methylbutan-2-yl 2-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 123594623
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate (CID 146612126) is tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate is CCCN(Cc1cc(F)cs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate?
The InChIKey is GPUDNPOZNYFVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-5-6-15(12(16)17-13(2,3)4)8-11-7-10(14)9-18-11/h7,9H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate?
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate has a molecular weight of 273.37 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 tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate is sourced from PubChem (CID 146612126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).