[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid

C13H11F2NO2S — CID 163833143

IUPAC[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid
SMILESO=C(O)Nc1sccc1CC(F)(F)c1ccccc1
InChIInChI=1S/C13H11F2NO2S/c14-13(15,10-4-2-1-3-5-10)8-9-6-7-19-11(9)16-12(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyOFKRZLZHMAIENY-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.17
Rot. Bonds4

About [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid

[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid (PubChem CID 163833143) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid
PubChem CID163833143
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid
SMILESO=C(O)Nc1sccc1CC(F)(F)c1ccccc1
InChIInChI=1S/C13H11F2NO2S/c14-13(15,10-4-2-1-3-5-10)8-9-6-7-19-11(9)16-12(17)18/h1-7,16H,8H2,(H,17,18)
InChIKeyOFKRZLZHMAIENY-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid?
The IUPAC name of [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid (CID 163833143) is [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid.
What is the SMILES notation for [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid?
The canonical SMILES for [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid is O=C(O)Nc1sccc1CC(F)(F)c1ccccc1.
What is the InChIKey of [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid?
The InChIKey is OFKRZLZHMAIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c14-13(15,10-4-2-1-3-5-10)8-9-6-7-19-11(9)16-12(17)18/h1-7,16H,8H2,(H,17,18).
What are the key properties of [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid?
[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid has a molecular weight of 283.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid is sourced from PubChem (CID 163833143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).