1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol

C12H12FNOS — CID 66349964

IUPAC1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
SMILESOC(CNc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c13-10-3-1-9(2-4-10)12(15)7-14-11-5-6-16-8-11/h1-6,8,12,14-15H,7H2
InChIKeyJZEORMYREFLITQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol

1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol (PubChem CID 66349964) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
PubChem CID66349964
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
SMILESOC(CNc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c13-10-3-1-9(2-4-10)12(15)7-14-11-5-6-16-8-11/h1-6,8,12,14-15H,7H2
InChIKeyJZEORMYREFLITQ-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
CID 51086768
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-(4-fluorophenyl)-2-(naphthalen-1-ylamino)ethanol
CID 60720496

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol (CID 66349964) is 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol is OC(CNc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol?
The InChIKey is JZEORMYREFLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-10-3-1-9(2-4-10)12(15)7-14-11-5-6-16-8-11/h1-6,8,12,14-15H,7H2.
What are the key properties of 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol?
1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol has a molecular weight of 237.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol is sourced from PubChem (CID 66349964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).