5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene

C10H5F11O — CID 58782398

IUPAC5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OC1(F)C(F)(F)C2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C10H5F11O/c1-2-5(13,14)22-10(21)7(16)4(12)3(11)6(15,8(7,17)18)9(10,19)20/h2H2,1H3
InChIKeyMFYRNVQVXQMJHR-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.54
Rot. Bonds3

About 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene

5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene (PubChem CID 58782398) has the molecular formula C10H5F11O and a molecular weight of 350.13 g/mol. Its IUPAC name is 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene
PubChem CID58782398
Molecular FormulaC10H5F11O
Molecular Weight350.13 g/mol
Exact Mass350.02
IUPAC Name5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene
SMILESCCC(F)(F)OC1(F)C(F)(F)C2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C10H5F11O/c1-2-5(13,14)22-10(21)7(16)4(12)3(11)6(15,8(7,17)18)9(10,19)20/h2H2,1H3
InChIKeyMFYRNVQVXQMJHR-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene (CID 58782398) is 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene is CCC(F)(F)OC1(F)C(F)(F)C2(F)C(F)=C(F)C1(F)C2(F)F.
What is the InChIKey of 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is MFYRNVQVXQMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F11O/c1-2-5(13,14)22-10(21)7(16)4(12)3(11)6(15,8(7,17)18)9(10,19)20/h2H2,1H3.
What are the key properties of 5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene?
5-(1,1-difluoropropoxy)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 350.13 g/mol, XLogP of 4.54, 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)-1,2,3,4,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58782398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).