3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane

C17H33F — CID 146538232

IUPAC3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane
SMILESC=C(C(C)C)C(C)(CCC(C)C)C(CC)CCF
InChIInChI=1S/C17H33F/c1-8-16(10-12-18)17(7,11-9-13(2)3)15(6)14(4)5/h13-14,16H,6,8-12H2,1-5,7H3
InChIKeyIXMMNOIXYSTXMU-UHFFFAOYSA-N
MW256.45 g/mol
LogP6.03
Rot. Bonds9

About 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane

3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane (PubChem CID 146538232) has the molecular formula C17H33F and a molecular weight of 256.45 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane.

Molecular Properties

Compound Name3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane
PubChem CID146538232
Molecular FormulaC17H33F
Molecular Weight256.45 g/mol
Exact Mass256.26
IUPAC Name3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane
SMILESC=C(C(C)C)C(C)(CCC(C)C)C(CC)CCF
InChIInChI=1S/C17H33F/c1-8-16(10-12-18)17(7,11-9-13(2)3)15(6)14(4)5/h13-14,16H,6,8-12H2,1-5,7H3
InChIKeyIXMMNOIXYSTXMU-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane?
The IUPAC name of 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane (CID 146538232) is 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane.
What is the SMILES notation for 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane?
The canonical SMILES for 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane is C=C(C(C)C)C(C)(CCC(C)C)C(CC)CCF.
What is the InChIKey of 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane?
The InChIKey is IXMMNOIXYSTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F/c1-8-16(10-12-18)17(7,11-9-13(2)3)15(6)14(4)5/h13-14,16H,6,8-12H2,1-5,7H3.
What are the key properties of 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane?
3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane has a molecular weight of 256.45 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane is sourced from PubChem (CID 146538232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).