2-(4-fluorocyclohexylidene)acetic acid

C8H11FO2 — CID 130966560

IUPAC2-(4-fluorocyclohexylidene)acetic acid
SMILESO=C(O)C=C1CCC(F)CC1
InChIInChI=1S/C8H11FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h5,7H,1-4H2,(H,10,11)/b6-5-
InChIKeyQWBPJIMRZDHEMT-WAYWQWQTSA-N
MW158.17 g/mol
LogP1.91
Rot. Bonds1

About 2-(4-fluorocyclohexylidene)acetic acid

2-(4-fluorocyclohexylidene)acetic acid (PubChem CID 130966560) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 2-(4-fluorocyclohexylidene)acetic acid.

Molecular Properties

Compound Name2-(4-fluorocyclohexylidene)acetic acid
PubChem CID130966560
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name2-(4-fluorocyclohexylidene)acetic acid
SMILESO=C(O)C=C1CCC(F)CC1
InChIInChI=1S/C8H11FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h5,7H,1-4H2,(H,10,11)/b6-5-
InChIKeyQWBPJIMRZDHEMT-WAYWQWQTSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexylidene)acetic acid?
The IUPAC name of 2-(4-fluorocyclohexylidene)acetic acid (CID 130966560) is 2-(4-fluorocyclohexylidene)acetic acid.
What is the SMILES notation for 2-(4-fluorocyclohexylidene)acetic acid?
The canonical SMILES for 2-(4-fluorocyclohexylidene)acetic acid is O=C(O)C=C1CCC(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexylidene)acetic acid?
The InChIKey is QWBPJIMRZDHEMT-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h5,7H,1-4H2,(H,10,11)/b6-5-.
What are the key properties of 2-(4-fluorocyclohexylidene)acetic acid?
2-(4-fluorocyclohexylidene)acetic acid has a molecular weight of 158.17 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexylidene)acetic acid is sourced from PubChem (CID 130966560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).