2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol

C14H20F6O2 — CID 58205689

IUPAC2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)C(C)(OCCO)C(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-7-8(2)10-6-9(7)12(15,13(10,16)17)11(3,14(18,19)20)22-5-4-21/h7-10,21H,4-6H2,1-3H3
InChIKeyIZRXDQNCGPNJMH-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.58
Rot. Bonds4

About 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol

2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol (PubChem CID 58205689) has the molecular formula C14H20F6O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
PubChem CID58205689
Molecular FormulaC14H20F6O2
Molecular Weight334.30 g/mol
Exact Mass334.14
IUPAC Name2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)C(C)(OCCO)C(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-7-8(2)10-6-9(7)12(15,13(10,16)17)11(3,14(18,19)20)22-5-4-21/h7-10,21H,4-6H2,1-3H3
InChIKeyIZRXDQNCGPNJMH-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The IUPAC name of 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol (CID 58205689) is 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-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-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The canonical SMILES for 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol is CC1C(C)C2CC1C(F)(F)C2(F)C(C)(OCCO)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
The InChIKey is IZRXDQNCGPNJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O2/c1-7-8(2)10-6-9(7)12(15,13(10,16)17)11(3,14(18,19)20)22-5-4-21/h7-10,21H,4-6H2,1-3H3.
What are the key properties of 2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol?
2-[1,1,1-trifluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol has a molecular weight of 334.30 g/mol, XLogP of 3.58, 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-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-yl]oxyethanol is sourced from PubChem (CID 58205689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).