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

C11H8FNO2 — CID 67920432

IUPAC(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c[nH]c2ccccc12
InChIInChI=1S/C11H8FNO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,(H,14,15)/b9-5-
InChIKeyHRTUKBHCOPSHBB-UITAMQMPSA-N
MW205.19 g/mol
LogP2.56
Rot. Bonds2

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

(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid (PubChem CID 67920432) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
PubChem CID67920432
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c[nH]c2ccccc12
InChIInChI=1S/C11H8FNO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,(H,14,15)/b9-5-
InChIKeyHRTUKBHCOPSHBB-UITAMQMPSA-N
XLogP2.56
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 ≤ 52.56
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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Related Compounds

2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
(E)-3-(1H-indol-3-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoic acid
CID 8706411
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
CID 142165781
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
2-[[(2E)-2-(1H-indol-3-ylmethylidene)-4-oxo-4-phenylbutanoyl]amino]acetic acid
CID 70676877

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid (CID 67920432) is (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid is O=C(O)/C(F)=C/c1c[nH]c2ccccc12.
What is the InChIKey of (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is HRTUKBHCOPSHBB-UITAMQMPSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,(H,14,15)/b9-5-.
What are the key properties of (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid?
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 205.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 67920432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).