fluoro 2-methylundec-2-enoate

C12H21FO2 — CID 174510755

IUPACfluoro 2-methylundec-2-enoate
SMILESCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-11(2)12(14)15-13/h10H,3-9H2,1-2H3
InChIKeyRGZXOYSSTNMSKI-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.11
Rot. Bonds8

About fluoro 2-methylundec-2-enoate

fluoro 2-methylundec-2-enoate (PubChem CID 174510755) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is fluoro 2-methylundec-2-enoate.

Molecular Properties

Compound Namefluoro 2-methylundec-2-enoate
PubChem CID174510755
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Namefluoro 2-methylundec-2-enoate
SMILESCCCCCCCCC=C(C)C(=O)OF
InChIInChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-11(2)12(14)15-13/h10H,3-9H2,1-2H3
InChIKeyRGZXOYSSTNMSKI-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-methylundec-2-enoate?
The IUPAC name of fluoro 2-methylundec-2-enoate (CID 174510755) is fluoro 2-methylundec-2-enoate.
What is the SMILES notation for fluoro 2-methylundec-2-enoate?
The canonical SMILES for fluoro 2-methylundec-2-enoate is CCCCCCCCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methylundec-2-enoate?
The InChIKey is RGZXOYSSTNMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-11(2)12(14)15-13/h10H,3-9H2,1-2H3.
What are the key properties of fluoro 2-methylundec-2-enoate?
fluoro 2-methylundec-2-enoate has a molecular weight of 216.30 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylundec-2-enoate is sourced from PubChem (CID 174510755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).