2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene

C11H14F4O — CID 123350494

IUPAC2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene
SMILESC=C(C)C=C(C=CC)OCC(F)(F)C(F)F
InChIInChI=1S/C11H14F4O/c1-4-5-9(6-8(2)3)16-7-11(14,15)10(12)13/h4-6,10H,2,7H2,1,3H3
InChIKeyDHMLYNUFXBCDRN-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene

2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene (PubChem CID 123350494) has the molecular formula C11H14F4O and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene
PubChem CID123350494
Molecular FormulaC11H14F4O
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene
SMILESC=C(C)C=C(C=CC)OCC(F)(F)C(F)F
InChIInChI=1S/C11H14F4O/c1-4-5-9(6-8(2)3)16-7-11(14,15)10(12)13/h4-6,10H,2,7H2,1,3H3
InChIKeyDHMLYNUFXBCDRN-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene?
The IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene (CID 123350494) is 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene.
What is the SMILES notation for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene?
The canonical SMILES for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene is C=C(C)C=C(C=CC)OCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene?
The InChIKey is DHMLYNUFXBCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O/c1-4-5-9(6-8(2)3)16-7-11(14,15)10(12)13/h4-6,10H,2,7H2,1,3H3.
What are the key properties of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene?
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene has a molecular weight of 238.22 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene is sourced from PubChem (CID 123350494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).