(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid

C11H8FNO2 — CID 83971122

IUPAC(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H8FNO2/c12-9-3-1-2-8-7(4-5-10(14)15)6-13-11(8)9/h1-6,13H,(H,14,15)/b5-4-
InChIKeyWUVSRHJFFUPCMF-PLNGDYQASA-N
MW205.19 g/mol
LogP2.40
Rot. Bonds2

About (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid

(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid (PubChem CID 83971122) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid
PubChem CID83971122
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H8FNO2/c12-9-3-1-2-8-7(4-5-10(14)15)6-13-11(8)9/h1-6,13H,(H,14,15)/b5-4-
InChIKeyWUVSRHJFFUPCMF-PLNGDYQASA-N
XLogP2.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid (CID 83971122) is (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid is O=C(O)/C=C\c1c[nH]c2c(F)cccc12.
What is the InChIKey of (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is WUVSRHJFFUPCMF-PLNGDYQASA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9-3-1-2-8-7(4-5-10(14)15)6-13-11(8)9/h1-6,13H,(H,14,15)/b5-4-.
What are the key properties of (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid?
(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 205.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 83971122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).