5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene

C14H19F3O — CID 123844485

IUPAC5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCOC1=CCC(C)C(C(C)C)=CC(C(F)(F)F)=C1
InChIInChI=1S/C14H19F3O/c1-9(2)13-8-11(14(15,16)17)7-12(18-4)6-5-10(13)3/h6-10H,5H2,1-4H3
InChIKeyYZZFLKDJKMUXTE-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.63
Rot. Bonds2

About 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene

5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene (PubChem CID 123844485) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene
PubChem CID123844485
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene
SMILESCOC1=CCC(C)C(C(C)C)=CC(C(F)(F)F)=C1
InChIInChI=1S/C14H19F3O/c1-9(2)13-8-11(14(15,16)17)7-12(18-4)6-5-10(13)3/h6-10H,5H2,1-4H3
InChIKeyYZZFLKDJKMUXTE-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The IUPAC name of 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene (CID 123844485) is 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene.
What is the SMILES notation for 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The canonical SMILES for 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene is COC1=CCC(C)C(C(C)C)=CC(C(F)(F)F)=C1.
What is the InChIKey of 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
The InChIKey is YZZFLKDJKMUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-9(2)13-8-11(14(15,16)17)7-12(18-4)6-5-10(13)3/h6-10H,5H2,1-4H3.
What are the key properties of 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene?
5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene has a molecular weight of 260.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene is sourced from PubChem (CID 123844485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).