tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate

C10H13BrFNO2S — CID 130358242

IUPACtert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,3)15-9(14)13-5-7-6(12)4-8(11)16-7/h4H,5H2,1-3H3,(H,13,14)
InChIKeyXXEPRQSPDROBBT-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate

tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate (PubChem CID 130358242) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate
PubChem CID130358242
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Nametert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,3)15-9(14)13-5-7-6(12)4-8(11)16-7/h4H,5H2,1-3H3,(H,13,14)
InChIKeyXXEPRQSPDROBBT-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
tert-Butyl (2-(5-bromothiophen-2-yl)ethyl)carbamate
CID 71819660
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
tert-butyl N-[[5-(3-bromo-4-fluorophenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 141671507
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
2,2,2-trifluoroethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 61068661
2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]carbamate
CID 61779605
2,2,2-trifluoroethyl N-[(3-bromothiophen-2-yl)methyl]carbamate
CID 78983807
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 107257342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate (CID 130358242) is tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1sc(Br)cc1F.
What is the InChIKey of tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate?
The InChIKey is XXEPRQSPDROBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-10(2,3)15-9(14)13-5-7-6(12)4-8(11)16-7/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate?
tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate has a molecular weight of 310.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-bromo-3-fluorothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 130358242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).