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

C14H20FNO2S — CID 146570715

IUPACtert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(F)cs1)C1CCC1
InChIInChI=1S/C14H20FNO2S/c1-14(2,3)18-13(17)16(11-5-4-6-11)8-12-7-10(15)9-19-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeyCYJAJALRYOWDFN-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.18
Rot. Bonds3

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

tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate (PubChem CID 146570715) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
PubChem CID146570715
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Nametert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(F)cs1)C1CCC1
InChIInChI=1S/C14H20FNO2S/c1-14(2,3)18-13(17)16(11-5-4-6-11)8-12-7-10(15)9-19-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeyCYJAJALRYOWDFN-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 146611531
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
tert-butyl N-cyclobutyl-N-[(4-ethynyl-3-fluorophenyl)methyl]carbamate
CID 154814899
tert-butyl N-[(4-bromo-2,5-difluorophenyl)methyl]-N-cyclopropylcarbamate
CID 164572023
tert-butyl N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclohexylcarbamate
CID 165413618
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxetan-3-yl)carbamate
CID 138986267
tert-butyl N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-N-cyclopentylcarbamate
CID 167530141
tert-butyl N-[[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]methyl]-N-cyclopentylcarbamate
CID 166557111
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate (CID 146570715) is tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1cc(F)cs1)C1CCC1.
What is the InChIKey of tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate?
The InChIKey is CYJAJALRYOWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-14(2,3)18-13(17)16(11-5-4-6-11)8-12-7-10(15)9-19-12/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate?
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate has a molecular weight of 285.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 146570715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).