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

C14H22F4O — CID 58205785

IUPAC2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C14H22F4O/c1-5-19-12(4,14(16,17)18)13(15)7-10-6-11(13)9(3)8(10)2/h8-11H,5-7H2,1-4H3
InChIKeyQYMKKAPCRNFOLV-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.36
Rot. Bonds3

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

2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane (PubChem CID 58205785) has the molecular formula C14H22F4O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane
PubChem CID58205785
Molecular FormulaC14H22F4O
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C
InChIInChI=1S/C14H22F4O/c1-5-19-12(4,14(16,17)18)13(15)7-10-6-11(13)9(3)8(10)2/h8-11H,5-7H2,1-4H3
InChIKeyQYMKKAPCRNFOLV-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane with MolForge

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Related Compounds

2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743871
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743873
5-[1,1,1,3,3,3-Hexafluoro-2-(nonoxymethoxy)propan-2-yl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20743880
2-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
CID 20743916
2-Fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
CID 20743933
5-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20743942
2,5,6-Trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20756283
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759706
2-[(3,5-Dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20759715
1,1,1,3,3,3-Hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 20764961

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane (CID 58205785) is 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane is CCOC(C)(C(F)(F)F)C1(F)CC2CC1C(C)C2C.
What is the InChIKey of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane?
The InChIKey is QYMKKAPCRNFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O/c1-5-19-12(4,14(16,17)18)13(15)7-10-6-11(13)9(3)8(10)2/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane?
2-(2-ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane has a molecular weight of 282.32 g/mol, XLogP of 4.36, 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-fluoro-5,6-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58205785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).