4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol

C14H15F2NO2S — CID 57218501

IUPAC4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol
SMILESCCc1sc(NC)c(-c2cccc(OC(F)F)c2)c1O
InChIInChI=1S/C14H15F2NO2S/c1-3-10-12(18)11(13(17-2)20-10)8-5-4-6-9(7-8)19-14(15)16/h4-7,14,17-18H,3H2,1-2H3
InChIKeyJIIQCPPPSNUAFM-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.33
Rot. Bonds5

About 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol

4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol (PubChem CID 57218501) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol
PubChem CID57218501
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol
SMILESCCc1sc(NC)c(-c2cccc(OC(F)F)c2)c1O
InChIInChI=1S/C14H15F2NO2S/c1-3-10-12(18)11(13(17-2)20-10)8-5-4-6-9(7-8)19-14(15)16/h4-7,14,17-18H,3H2,1-2H3
InChIKeyJIIQCPPPSNUAFM-UHFFFAOYSA-N
XLogP4.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
ethyl 2-[[3-(difluoromethoxy)benzoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 4765795
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-hexylaniline
CID 43698714

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol (CID 57218501) is 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol is CCc1sc(NC)c(-c2cccc(OC(F)F)c2)c1O.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol?
The InChIKey is JIIQCPPPSNUAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c1-3-10-12(18)11(13(17-2)20-10)8-5-4-6-9(7-8)19-14(15)16/h4-7,14,17-18H,3H2,1-2H3.
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol?
4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol has a molecular weight of 299.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-2-ethyl-5-(methylamino)thiophen-3-ol is sourced from PubChem (CID 57218501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).