4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol

C14H15ClFNOS — CID 107714803

IUPAC4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
SMILESCC(NC(C)c1ccc(O)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNOS/c1-8(11-4-3-10(18)7-12(11)16)17-9(2)13-5-6-14(15)19-13/h3-9,17-18H,1-2H3
InChIKeyQRJFAIKZBYFNPJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.66
Rot. Bonds4

About 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol

4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol (PubChem CID 107714803) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
PubChem CID107714803
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
SMILESCC(NC(C)c1ccc(O)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNOS/c1-8(11-4-3-10(18)7-12(11)16)17-9(2)13-5-6-14(15)19-13/h3-9,17-18H,1-2H3
InChIKeyQRJFAIKZBYFNPJ-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol (CID 107714803) is 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol is CC(NC(C)c1ccc(O)cc1F)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
The InChIKey is QRJFAIKZBYFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8(11-4-3-10(18)7-12(11)16)17-9(2)13-5-6-14(15)19-13/h3-9,17-18H,1-2H3.
What are the key properties of 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol?
4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol has a molecular weight of 299.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107714803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).