2-(2-fluoroethylamino)-1-thiophen-3-ylethanol

C8H12FNOS — CID 106435014

IUPAC2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCCF)c1ccsc1
InChIInChI=1S/C8H12FNOS/c9-2-3-10-5-8(11)7-1-4-12-6-7/h1,4,6,8,10-11H,2-3,5H2
InChIKeyCKJQLGSDBHMPNQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.34
Rot. Bonds5

About 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol

2-(2-fluoroethylamino)-1-thiophen-3-ylethanol (PubChem CID 106435014) has the molecular formula C8H12FNOS and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
PubChem CID106435014
Molecular FormulaC8H12FNOS
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC Name2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
SMILESOC(CNCCF)c1ccsc1
InChIInChI=1S/C8H12FNOS/c9-2-3-10-5-8(11)7-1-4-12-6-7/h1,4,6,8,10-11H,2-3,5H2
InChIKeyCKJQLGSDBHMPNQ-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol (CID 106435014) is 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol is OC(CNCCF)c1ccsc1.
What is the InChIKey of 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol?
The InChIKey is CKJQLGSDBHMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNOS/c9-2-3-10-5-8(11)7-1-4-12-6-7/h1,4,6,8,10-11H,2-3,5H2.
What are the key properties of 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol?
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol has a molecular weight of 189.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).