(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid

C15H15FO3 — CID 82090740

IUPAC(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C15H15FO3/c16-11-3-4-13-12(8-11)10(7-14(17)18)9-15(19-13)5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2,(H,17,18)/b10-7+
InChIKeyGYCYRPGWAQMWIO-JXMROGBWSA-N
MW262.28 g/mol
LogP3.39
Rot. Bonds1

About (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid

(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid (PubChem CID 82090740) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid
PubChem CID82090740
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C15H15FO3/c16-11-3-4-13-12(8-11)10(7-14(17)18)9-15(19-13)5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2,(H,17,18)/b10-7+
InChIKeyGYCYRPGWAQMWIO-JXMROGBWSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid?
The IUPAC name of (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid (CID 82090740) is (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid is O=C(O)/C=C1\CC2(CCCC2)Oc2ccc(F)cc21.
What is the InChIKey of (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid?
The InChIKey is GYCYRPGWAQMWIO-JXMROGBWSA-N. The full InChI is InChI=1S/C15H15FO3/c16-11-3-4-13-12(8-11)10(7-14(17)18)9-15(19-13)5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2,(H,17,18)/b10-7+.
What are the key properties of (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid?
(2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid has a molecular weight of 262.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ylidene)acetic acid is sourced from PubChem (CID 82090740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).