2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane

C14H19F7O2 — CID 20743933

IUPAC2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C14H19F7O2/c1-7-8(2)10-4-9(7)5-11(10,15)12(13(16,17)18,14(19,20)21)23-6-22-3/h7-10H,4-6H2,1-3H3
InChIKeyYZQZHZBKIFJALD-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.49
Rot. Bonds4

About 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane

2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 20743933) has the molecular formula C14H19F7O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID20743933
Molecular FormulaC14H19F7O2
Molecular Weight352.29 g/mol
Exact Mass352.13
IUPAC Name2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C14H19F7O2/c1-7-8(2)10-4-9(7)5-11(10,15)12(13(16,17)18,14(19,20)21)23-6-22-3/h7-10H,4-6H2,1-3H3
InChIKeyYZQZHZBKIFJALD-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane (CID 20743933) is 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane is COCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CC1C(C)C2C.
What is the InChIKey of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is YZQZHZBKIFJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F7O2/c1-7-8(2)10-4-9(7)5-11(10,15)12(13(16,17)18,14(19,20)21)23-6-22-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane?
2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane has a molecular weight of 352.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 20743933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).