3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene

C11H11F5O — CID 143473909

IUPAC3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene
SMILESCC1=CCC(OCC(F)(F)C(F)F)=CC(F)=C1
InChIInChI=1S/C11H11F5O/c1-7-2-3-9(5-8(12)4-7)17-6-11(15,16)10(13)14/h2,4-5,10H,3,6H2,1H3
InChIKeyLGZGHEGRCJBSPL-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.99
Rot. Bonds4

About 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene

3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene (PubChem CID 143473909) has the molecular formula C11H11F5O and a molecular weight of 254.20 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene
PubChem CID143473909
Molecular FormulaC11H11F5O
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene
SMILESCC1=CCC(OCC(F)(F)C(F)F)=CC(F)=C1
InChIInChI=1S/C11H11F5O/c1-7-2-3-9(5-8(12)4-7)17-6-11(15,16)10(13)14/h2,4-5,10H,3,6H2,1H3
InChIKeyLGZGHEGRCJBSPL-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene?
The IUPAC name of 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene (CID 143473909) is 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene is CC1=CCC(OCC(F)(F)C(F)F)=CC(F)=C1.
What is the InChIKey of 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene?
The InChIKey is LGZGHEGRCJBSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O/c1-7-2-3-9(5-8(12)4-7)17-6-11(15,16)10(13)14/h2,4-5,10H,3,6H2,1H3.
What are the key properties of 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene?
3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene has a molecular weight of 254.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-1-(2,2,3,3-tetrafluoropropoxy)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143473909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).