(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid

C11H9FO2 — CID 23293571

IUPAC(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCc2cc(F)ccc21
InChIInChI=1S/C11H9FO2/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H,13,14)/b8-6+
InChIKeyGHOHOGWRHFDZRS-SOFGYWHQSA-N
MW192.19 g/mol
LogP2.24
Rot. Bonds1

About (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid

(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid (PubChem CID 23293571) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
PubChem CID23293571
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\CCc2cc(F)ccc21
InChIInChI=1S/C11H9FO2/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H,13,14)/b8-6+
InChIKeyGHOHOGWRHFDZRS-SOFGYWHQSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
(2E)-2-(6-chloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 82077740
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
CID 6540038
(2Z)-2-(2-fluorofluoren-9-ylidene)acetic acid
CID 82578717
4-[(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]quinoline
CID 68961822
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine
CID 79880125
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid
CID 155338382
(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid
CID 82090740

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid?
The IUPAC name of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid (CID 23293571) is (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid is O=C(O)/C=C1\CCc2cc(F)ccc21.
What is the InChIKey of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid?
The InChIKey is GHOHOGWRHFDZRS-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H9FO2/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H,13,14)/b8-6+.
What are the key properties of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid?
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid has a molecular weight of 192.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid is sourced from PubChem (CID 23293571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).