(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid

C13H9FO3S — CID 43839852

IUPAC(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
SMILESO=C(O)/C(S)=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)11-6-5-8(17-11)7-12(18)13(15)16/h1-7,18H,(H,15,16)/b12-7-
InChIKeyGGPYBQPWKJZEKW-GHXNOFRVSA-N
MW264.28 g/mol
LogP3.44
Rot. Bonds3

About (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid

(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid (PubChem CID 43839852) has the molecular formula C13H9FO3S and a molecular weight of 264.28 g/mol. Its IUPAC name is (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
PubChem CID43839852
Molecular FormulaC13H9FO3S
Molecular Weight264.28 g/mol
Exact Mass264.03
IUPAC Name(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
SMILESO=C(O)/C(S)=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)11-6-5-8(17-11)7-12(18)13(15)16/h1-7,18H,(H,15,16)/b12-7-
InChIKeyGGPYBQPWKJZEKW-GHXNOFRVSA-N
XLogP3.44
TPSA50.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839856
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
(Z)-2-sulfanyl-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
CID 88719322
(Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839854
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 9211091
[(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 9340951
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-methoxyphenyl)prop-2-enamide
CID 18863310
2-acetamido-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 4768027
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 18863386
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79344481

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid (CID 43839852) is (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid is O=C(O)/C(S)=C/c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid?
The InChIKey is GGPYBQPWKJZEKW-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)11-6-5-8(17-11)7-12(18)13(15)16/h1-7,18H,(H,15,16)/b12-7-.
What are the key properties of (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid?
(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid is sourced from PubChem (CID 43839852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).