1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea

C13H12F2N2O2S — CID 90500402

IUPAC1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(O)c1cccs1)Nc1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O2S/c14-8-3-1-4-9(15)12(8)17-13(19)16-7-10(18)11-5-2-6-20-11/h1-6,10,18H,7H2,(H2,16,17,19)
InChIKeyWFNHAAFRKAZVKE-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea

1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea (PubChem CID 90500402) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
PubChem CID90500402
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(O)c1cccs1)Nc1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O2S/c14-8-3-1-4-9(15)12(8)17-13(19)16-7-10(18)11-5-2-6-20-11/h1-6,10,18H,7H2,(H2,16,17,19)
InChIKeyWFNHAAFRKAZVKE-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
(2S)-3-[(2-chloro-6-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007759

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea (CID 90500402) is 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea is O=C(NCC(O)c1cccs1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea?
The InChIKey is WFNHAAFRKAZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-8-3-1-4-9(15)12(8)17-13(19)16-7-10(18)11-5-2-6-20-11/h1-6,10,18H,7H2,(H2,16,17,19).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea?
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea has a molecular weight of 298.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90500402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).