2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane

C15H24F4O — CID 58205746

IUPAC2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C15H24F4O/c1-8(2)20-13(5,15(17,18)19)14(16)7-11-6-12(14)10(4)9(11)3/h8-12H,6-7H2,1-5H3
InChIKeyOBXYHIAGBLFMPX-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.75
Rot. Bonds3

About 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane

2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 58205746) has the molecular formula C15H24F4O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID58205746
Molecular FormulaC15H24F4O
Molecular Weight296.35 g/mol
Exact Mass296.18
IUPAC Name2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C15H24F4O/c1-8(2)20-13(5,15(17,18)19)14(16)7-11-6-12(14)10(4)9(11)3/h8-12H,6-7H2,1-5H3
InChIKeyOBXYHIAGBLFMPX-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane (CID 58205746) is 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane is CC(C)OC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C.
What is the InChIKey of 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is OBXYHIAGBLFMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F4O/c1-8(2)20-13(5,15(17,18)19)14(16)7-11-6-12(14)10(4)9(11)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 296.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58205746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).