fluoro 2-methylhex-2-enoate

C7H11FO2 — CID 174475859

IUPACfluoro 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)OF
InChIInChI=1S/C7H11FO2/c1-3-4-5-6(2)7(9)10-8/h5H,3-4H2,1-2H3
InChIKeyAWFNUCGBTFOORS-UHFFFAOYSA-N
MW146.16 g/mol
LogP2.16
Rot. Bonds3

About fluoro 2-methylhex-2-enoate

fluoro 2-methylhex-2-enoate (PubChem CID 174475859) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is fluoro 2-methylhex-2-enoate.

Molecular Properties

Compound Namefluoro 2-methylhex-2-enoate
PubChem CID174475859
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Namefluoro 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)OF
InChIInChI=1S/C7H11FO2/c1-3-4-5-6(2)7(9)10-8/h5H,3-4H2,1-2H3
InChIKeyAWFNUCGBTFOORS-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
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 fluoro 2-methylhex-2-enoate?
The IUPAC name of fluoro 2-methylhex-2-enoate (CID 174475859) is fluoro 2-methylhex-2-enoate.
What is the SMILES notation for fluoro 2-methylhex-2-enoate?
The canonical SMILES for fluoro 2-methylhex-2-enoate is CCCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methylhex-2-enoate?
The InChIKey is AWFNUCGBTFOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-3-4-5-6(2)7(9)10-8/h5H,3-4H2,1-2H3.
What are the key properties of fluoro 2-methylhex-2-enoate?
fluoro 2-methylhex-2-enoate has a molecular weight of 146.16 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylhex-2-enoate is sourced from PubChem (CID 174475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).