10-fluorodecyl 2-methylideneicosanoate

C31H59FO2 — CID 54190719

IUPAC10-fluorodecyl 2-methylideneicosanoate
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCF
InChIInChI=1S/C31H59FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(2)31(33)34-29-26-23-20-17-16-19-22-25-28-32/h2-29H2,1H3
InChIKeyPIHSUIOPYSLURS-UHFFFAOYSA-N
MW482.81 g/mol
LogP10.83
Rot. Bonds28

About 10-fluorodecyl 2-methylideneicosanoate

10-fluorodecyl 2-methylideneicosanoate (PubChem CID 54190719) has the molecular formula C31H59FO2 and a molecular weight of 482.81 g/mol. Its IUPAC name is 10-fluorodecyl 2-methylideneicosanoate.

Molecular Properties

Compound Name10-fluorodecyl 2-methylideneicosanoate
PubChem CID54190719
Molecular FormulaC31H59FO2
Molecular Weight482.81 g/mol
Exact Mass482.45
IUPAC Name10-fluorodecyl 2-methylideneicosanoate
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCF
InChIInChI=1S/C31H59FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(2)31(33)34-29-26-23-20-17-16-19-22-25-28-32/h2-29H2,1H3
InChIKeyPIHSUIOPYSLURS-UHFFFAOYSA-N
XLogP10.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 510.83
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 10-fluorodecyl 2-methylideneicosanoate?
The IUPAC name of 10-fluorodecyl 2-methylideneicosanoate (CID 54190719) is 10-fluorodecyl 2-methylideneicosanoate.
What is the SMILES notation for 10-fluorodecyl 2-methylideneicosanoate?
The canonical SMILES for 10-fluorodecyl 2-methylideneicosanoate is C=C(CCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCF.
What is the InChIKey of 10-fluorodecyl 2-methylideneicosanoate?
The InChIKey is PIHSUIOPYSLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(2)31(33)34-29-26-23-20-17-16-19-22-25-28-32/h2-29H2,1H3.
What are the key properties of 10-fluorodecyl 2-methylideneicosanoate?
10-fluorodecyl 2-methylideneicosanoate has a molecular weight of 482.81 g/mol, XLogP of 10.83, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluorodecyl 2-methylideneicosanoate is sourced from PubChem (CID 54190719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).