4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol

C13H13ClFNOS — CID 113261851

IUPAC4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
SMILESCC(NCc1ccc(O)c(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNOS/c1-8(12-4-5-13(14)18-12)16-7-9-2-3-11(17)10(15)6-9/h2-6,8,16-17H,7H2,1H3
InChIKeyYETLIUBDNZZPBW-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.10
Rot. Bonds4

About 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol

4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol (PubChem CID 113261851) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
PubChem CID113261851
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
SMILESCC(NCc1ccc(O)c(F)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNOS/c1-8(12-4-5-13(14)18-12)16-7-9-2-3-11(17)10(15)6-9/h2-6,8,16-17H,7H2,1H3
InChIKeyYETLIUBDNZZPBW-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol (CID 113261851) is 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol is CC(NCc1ccc(O)c(F)c1)c1ccc(Cl)s1.
What is the InChIKey of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol?
The InChIKey is YETLIUBDNZZPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-8(12-4-5-13(14)18-12)16-7-9-2-3-11(17)10(15)6-9/h2-6,8,16-17H,7H2,1H3.
What are the key properties of 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol?
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol has a molecular weight of 285.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 113261851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).