5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane

C11H14F6O — CID 91112145

IUPAC5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane
SMILESCCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F.CF
InChIInChI=1S/C10H11F5O.CH3F/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14;1-2/h3-4,6-7H,2,5H2,1H3;1H3
InChIKeyMOEIFCCNEZNTRH-UHFFFAOYSA-N
MW276.22 g/mol
LogP4.10
Rot. Bonds3

About 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane

5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane (PubChem CID 91112145) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane.

Molecular Properties

Compound Name5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane
PubChem CID91112145
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane
SMILESCCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F.CF
InChIInChI=1S/C10H11F5O.CH3F/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14;1-2/h3-4,6-7H,2,5H2,1H3;1H3
InChIKeyMOEIFCCNEZNTRH-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane?
The IUPAC name of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane (CID 91112145) is 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane.
What is the SMILES notation for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane?
The canonical SMILES for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane is CCC(F)(F)OC1(F)C2C=CC(C2)C1(F)F.CF.
What is the InChIKey of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane?
The InChIKey is MOEIFCCNEZNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O.CH3F/c1-2-8(11,12)16-10(15)7-4-3-6(5-7)9(10,13)14;1-2/h3-4,6-7H,2,5H2,1H3;1H3.
What are the key properties of 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane?
5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane has a molecular weight of 276.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropoxy)-5,6,6-trifluorobicyclo[2.2.1]hept-2-ene;fluoromethane is sourced from PubChem (CID 91112145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).