2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane

C14H20F6O — CID 58205753

IUPAC2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C14H20F6O/c1-5-21-11(4,14(18,19)20)12(15)9-6-10(13(12,16)17)8(3)7(9)2/h7-10H,5-6H2,1-4H3
InChIKeyKLSKAYKLRUOYKW-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane

2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 58205753) has the molecular formula C14H20F6O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID58205753
Molecular FormulaC14H20F6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C14H20F6O/c1-5-21-11(4,14(18,19)20)12(15)9-6-10(13(12,16)17)8(3)7(9)2/h7-10H,5-6H2,1-4H3
InChIKeyKLSKAYKLRUOYKW-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane (CID 58205753) is 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane is CCOC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F.
What is the InChIKey of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is KLSKAYKLRUOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O/c1-5-21-11(4,14(18,19)20)12(15)9-6-10(13(12,16)17)8(3)7(9)2/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane?
2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane has a molecular weight of 318.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58205753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).