1-fluoropentyl 2-methylidenedecanoate

C16H29FO2 — CID 139911742

IUPAC1-fluoropentyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC(F)CCCC
InChIInChI=1S/C16H29FO2/c1-4-6-8-9-10-11-12-14(3)16(18)19-15(17)13-7-5-2/h15H,3-13H2,1-2H3
InChIKeyGKPNBWSYTMDSBM-UHFFFAOYSA-N
MW272.40 g/mol
LogP5.32
Rot. Bonds12

About 1-fluoropentyl 2-methylidenedecanoate

1-fluoropentyl 2-methylidenedecanoate (PubChem CID 139911742) has the molecular formula C16H29FO2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-fluoropentyl 2-methylidenedecanoate.

Molecular Properties

Compound Name1-fluoropentyl 2-methylidenedecanoate
PubChem CID139911742
Molecular FormulaC16H29FO2
Molecular Weight272.40 g/mol
Exact Mass272.22
IUPAC Name1-fluoropentyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC(F)CCCC
InChIInChI=1S/C16H29FO2/c1-4-6-8-9-10-11-12-14(3)16(18)19-15(17)13-7-5-2/h15H,3-13H2,1-2H3
InChIKeyGKPNBWSYTMDSBM-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.40
LogP ≤ 55.32
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 1-fluoropentyl 2-methylidenedecanoate?
The IUPAC name of 1-fluoropentyl 2-methylidenedecanoate (CID 139911742) is 1-fluoropentyl 2-methylidenedecanoate.
What is the SMILES notation for 1-fluoropentyl 2-methylidenedecanoate?
The canonical SMILES for 1-fluoropentyl 2-methylidenedecanoate is C=C(CCCCCCCC)C(=O)OC(F)CCCC.
What is the InChIKey of 1-fluoropentyl 2-methylidenedecanoate?
The InChIKey is GKPNBWSYTMDSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO2/c1-4-6-8-9-10-11-12-14(3)16(18)19-15(17)13-7-5-2/h15H,3-13H2,1-2H3.
What are the key properties of 1-fluoropentyl 2-methylidenedecanoate?
1-fluoropentyl 2-methylidenedecanoate has a molecular weight of 272.40 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentyl 2-methylidenedecanoate is sourced from PubChem (CID 139911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).