4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid

C14H21FO3S — CID 141001212

IUPAC4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(O)CCCCCF)s1
InChIInChI=1S/C14H21FO3S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12,16H,1-7,10H2,(H,17,18)
InChIKeyVYRXDSVCFNEDGE-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.72
Rot. Bonds10

About 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid

4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid (PubChem CID 141001212) has the molecular formula C14H21FO3S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid
PubChem CID141001212
Molecular FormulaC14H21FO3S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(O)CCCCCF)s1
InChIInChI=1S/C14H21FO3S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12,16H,1-7,10H2,(H,17,18)
InChIKeyVYRXDSVCFNEDGE-UHFFFAOYSA-N
XLogP3.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.72
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

4-[5-[6-fluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 67579857
4-[5-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]thiophen-2-yl]butanoic acid
CID 67579336
6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
CID 61101885
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
4-[5-[2-(benzylsulfonylamino)ethyl]thiophen-2-yl]-4-hydroxybutanoic acid
CID 57319413
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
4-[5-(2,2,2-trifluoro-1-hydroxyethyl)thiophen-2-yl]butanoate
CID 152771605
8-fluorooctanoic acid
CID 9616
17-fluoroheptadecanoic acid
CID 13401115
4-[5-[1-[(4-fluorophenyl)sulfonylamino]pentyl]thiophen-2-yl]butanoic acid
CID 139712800
7-[5-(3-hydroxyoct-1-enyl)thiophen-2-yl]heptanoic acid
CID 54320936

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid?
The IUPAC name of 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid (CID 141001212) is 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid is O=C(O)CCCc1ccc(C(O)CCCCCF)s1.
What is the InChIKey of 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid?
The InChIKey is VYRXDSVCFNEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3S/c15-10-3-1-2-6-12(16)13-9-8-11(19-13)5-4-7-14(17)18/h8-9,12,16H,1-7,10H2,(H,17,18).
What are the key properties of 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid?
4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid has a molecular weight of 288.38 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoro-1-hydroxyhexyl)thiophen-2-yl]butanoic acid is sourced from PubChem (CID 141001212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).