10-ethenyl-11-(2-fluoroethyl)icosane

C24H47F — CID 57074959

IUPAC10-ethenyl-11-(2-fluoroethyl)icosane
SMILESC=CC(CCCCCCCCC)C(CCF)CCCCCCCCC
InChIInChI=1S/C24H47F/c1-4-7-9-11-13-15-17-19-23(6-3)24(21-22-25)20-18-16-14-12-10-8-5-2/h6,23-24H,3-5,7-22H2,1-2H3
InChIKeyQXPVUKKRPOOKGQ-UHFFFAOYSA-N
MW354.64 g/mol
LogP9.05
Rot. Bonds20

About 10-ethenyl-11-(2-fluoroethyl)icosane

10-ethenyl-11-(2-fluoroethyl)icosane (PubChem CID 57074959) has the molecular formula C24H47F and a molecular weight of 354.64 g/mol. Its IUPAC name is 10-ethenyl-11-(2-fluoroethyl)icosane.

Molecular Properties

Compound Name10-ethenyl-11-(2-fluoroethyl)icosane
PubChem CID57074959
Molecular FormulaC24H47F
Molecular Weight354.64 g/mol
Exact Mass354.37
IUPAC Name10-ethenyl-11-(2-fluoroethyl)icosane
SMILESC=CC(CCCCCCCCC)C(CCF)CCCCCCCCC
InChIInChI=1S/C24H47F/c1-4-7-9-11-13-15-17-19-23(6-3)24(21-22-25)20-18-16-14-12-10-8-5-2/h6,23-24H,3-5,7-22H2,1-2H3
InChIKeyQXPVUKKRPOOKGQ-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
4-ethyl-3-methyldodec-1-ene
CID 145405438
2-dodec-1-en-3-ylpropanedioic acid
CID 59411846
3-ethenylnon-1-ene
CID 123641938
6-[(2S)-1-fluoropropan-2-yl]tridecane
CID 154930317
10-ethenylnonadecane
CID 57244946
6-[(1S)-3-fluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 155048515
8,9-dibutylhexadecane
CID 530025
ethane;9-ethenylheptadecane;octane
CID 168985515
3-methoxynon-1-ene
CID 12563924

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-11-(2-fluoroethyl)icosane?
The IUPAC name of 10-ethenyl-11-(2-fluoroethyl)icosane (CID 57074959) is 10-ethenyl-11-(2-fluoroethyl)icosane.
What is the SMILES notation for 10-ethenyl-11-(2-fluoroethyl)icosane?
The canonical SMILES for 10-ethenyl-11-(2-fluoroethyl)icosane is C=CC(CCCCCCCCC)C(CCF)CCCCCCCCC.
What is the InChIKey of 10-ethenyl-11-(2-fluoroethyl)icosane?
The InChIKey is QXPVUKKRPOOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47F/c1-4-7-9-11-13-15-17-19-23(6-3)24(21-22-25)20-18-16-14-12-10-8-5-2/h6,23-24H,3-5,7-22H2,1-2H3.
What are the key properties of 10-ethenyl-11-(2-fluoroethyl)icosane?
10-ethenyl-11-(2-fluoroethyl)icosane has a molecular weight of 354.64 g/mol, XLogP of 9.05, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-11-(2-fluoroethyl)icosane is sourced from PubChem (CID 57074959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).