tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate

C16H18FNO2S — CID 63787631

IUPACtert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19)
InChIKeyCJJXTNFFZWQMIO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate

tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate (PubChem CID 63787631) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
PubChem CID63787631
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Nametert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19)
InChIKeyCJJXTNFFZWQMIO-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate (CID 63787631) is tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
The InChIKey is CJJXTNFFZWQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,3)20-15(19)18-14(13-5-4-10-21-13)11-6-8-12(17)9-7-11/h4-10,14H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate?
tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate is sourced from PubChem (CID 63787631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).