2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene

C17H29FO — CID 91288012

IUPAC2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
SMILESCCC(C)CCC(C)C1CC=C(OCF)C=CCC1
InChIInChI=1S/C17H29FO/c1-4-14(2)9-10-15(3)16-7-5-6-8-17(12-11-16)19-13-18/h6,8,12,14-16H,4-5,7,9-11,13H2,1-3H3
InChIKeyMILHCJQJDALNMH-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.63
Rot. Bonds7

About 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene

2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene (PubChem CID 91288012) has the molecular formula C17H29FO and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene.

Molecular Properties

Compound Name2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
PubChem CID91288012
Molecular FormulaC17H29FO
Molecular Weight268.42 g/mol
Exact Mass268.22
IUPAC Name2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
SMILESCCC(C)CCC(C)C1CC=C(OCF)C=CCC1
InChIInChI=1S/C17H29FO/c1-4-14(2)9-10-15(3)16-7-5-6-8-17(12-11-16)19-13-18/h6,8,12,14-16H,4-5,7,9-11,13H2,1-3H3
InChIKeyMILHCJQJDALNMH-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene?
The IUPAC name of 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene (CID 91288012) is 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene.
What is the SMILES notation for 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene?
The canonical SMILES for 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene is CCC(C)CCC(C)C1CC=C(OCF)C=CCC1.
What is the InChIKey of 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene?
The InChIKey is MILHCJQJDALNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FO/c1-4-14(2)9-10-15(3)16-7-5-6-8-17(12-11-16)19-13-18/h6,8,12,14-16H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene?
2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene has a molecular weight of 268.42 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene is sourced from PubChem (CID 91288012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).