2-(fluoromethylidene)hexanoic acid

C7H11FO2 — CID 90806921

IUPAC2-(fluoromethylidene)hexanoic acid
SMILESCCCCC(=CF)C(=O)O
InChIInChI=1S/C7H11FO2/c1-2-3-4-6(5-8)7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyLAEIMOLHKAJUTG-UHFFFAOYSA-N
MW146.16 g/mol
LogP2.11
Rot. Bonds4

About 2-(fluoromethylidene)hexanoic acid

2-(fluoromethylidene)hexanoic acid (PubChem CID 90806921) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-(fluoromethylidene)hexanoic acid.

Molecular Properties

Compound Name2-(fluoromethylidene)hexanoic acid
PubChem CID90806921
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-(fluoromethylidene)hexanoic acid
SMILESCCCCC(=CF)C(=O)O
InChIInChI=1S/C7H11FO2/c1-2-3-4-6(5-8)7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyLAEIMOLHKAJUTG-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 52.11
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-(fluoromethylidene)hexanoic acid?
The IUPAC name of 2-(fluoromethylidene)hexanoic acid (CID 90806921) is 2-(fluoromethylidene)hexanoic acid.
What is the SMILES notation for 2-(fluoromethylidene)hexanoic acid?
The canonical SMILES for 2-(fluoromethylidene)hexanoic acid is CCCCC(=CF)C(=O)O.
What is the InChIKey of 2-(fluoromethylidene)hexanoic acid?
The InChIKey is LAEIMOLHKAJUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-3-4-6(5-8)7(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(fluoromethylidene)hexanoic acid?
2-(fluoromethylidene)hexanoic acid has a molecular weight of 146.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylidene)hexanoic acid is sourced from PubChem (CID 90806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).