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

C14H22F4O2 — CID 58205841

IUPAC2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
SMILESCC1C2CC(C1C)C(F)(C(C)(OCCO)C(F)(F)F)C2
InChIInChI=1S/C14H22F4O2/c1-8-9(2)11-6-10(8)7-13(11,15)12(3,14(16,17)18)20-5-4-19/h8-11,19H,4-7H2,1-3H3
InChIKeyYHOASAOHNLNUJP-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.34
Rot. Bonds4

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

2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol (PubChem CID 58205841) has the molecular formula C14H22F4O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
PubChem CID58205841
Molecular FormulaC14H22F4O2
Molecular Weight298.32 g/mol
Exact Mass298.16
IUPAC Name2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
SMILESCC1C2CC(C1C)C(F)(C(C)(OCCO)C(F)(F)F)C2
InChIInChI=1S/C14H22F4O2/c1-8-9(2)11-6-10(8)7-13(11,15)12(3,14(16,17)18)20-5-4-19/h8-11,19H,4-7H2,1-3H3
InChIKeyYHOASAOHNLNUJP-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol with MolForge

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Related Compounds

2,2,3-Trifluoro-5,6-dimethyl-3-[4,4,4-trifluoro-3-octoxy-3-(trifluoromethyl)butyl]bicyclo[2.2.1]heptane
CID 20781749
5-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20781757
7-(2-But-2-ynoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-5-[2-but-2-ynoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 21053329
2,3-Diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 21063611
2,3-Dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)-2-undecoxypropyl]bicyclo[2.2.1]heptane
CID 21301218
2-[2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetic acid
CID 57526185
4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol
CID 57676538
4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-5-methyl-2-(trifluoromethyl)oxolane-2,4-diol
CID 57676823
2-[1,1,1,3,3,3-Hexafluoro-2-[6-[1-hydroperoxy-2-methyl-2-(trifluoromethyl)butyl]-2-bicyclo[2.2.1]heptanyl]propan-2-yl]oxyethanol
CID 57806658
2-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806667
7-(1,1,1,3,3,3-Hexafluoro-2-propoxypropan-2-yl)-2,3-dimethyl-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806693
1,1,1,3,3,3-Hexafluoro-2-[[6-methyl-5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
CID 57841687

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The IUPAC name of 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol (CID 58205841) is 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol.
What is the SMILES notation for 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The canonical SMILES for 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol is CC1C2CC(C1C)C(F)(C(C)(OCCO)C(F)(F)F)C2.
What is the InChIKey of 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The InChIKey is YHOASAOHNLNUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O2/c1-8-9(2)11-6-10(8)7-13(11,15)12(3,14(16,17)18)20-5-4-19/h8-11,19H,4-7H2,1-3H3.
What are the key properties of 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol has a molecular weight of 298.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1-trifluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol is sourced from PubChem (CID 58205841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).