tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate

C10H14FNO2S — CID 130358243

IUPACtert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1sccc1F
InChIInChI=1S/C10H14FNO2S/c1-10(2,3)14-9(13)12-6-8-7(11)4-5-15-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyCELREKBFWOUJOA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate

tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate (PubChem CID 130358243) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
PubChem CID130358243
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Nametert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1sccc1F
InChIInChI=1S/C10H14FNO2S/c1-10(2,3)14-9(13)12-6-8-7(11)4-5-15-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyCELREKBFWOUJOA-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
CID 2799233
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
tert-butyl N-[3-(thiophen-2-yl)prop-2-yn-1-yl]carbamate
CID 11492408
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
(5-(((tert-Butoxycarbonyl)amino)methyl)thiophen-2-yl)boronic acid
CID 46738981
(3-Fluorothiophen-2-yl)methylcarbamic acid
CID 130345143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate (CID 130358243) is tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1sccc1F.
What is the InChIKey of tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate?
The InChIKey is CELREKBFWOUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-10(2,3)14-9(13)12-6-8-7(11)4-5-15-8/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate?
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 130358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).