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

C12H13F9O — CID 20743871

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F9O/c1-4-5(2)7-3-6(4)8(13,9(7,14)15)10(22,11(16,17)18)12(19,20)21/h4-7,22H,3H2,1-2H3
InChIKeyJVHLYPFATVQWQI-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.11
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 20743871) has the molecular formula C12H13F9O and a molecular weight of 344.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID20743871
Molecular FormulaC12H13F9O
Molecular Weight344.22 g/mol
Exact Mass344.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1C(C)C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F9O/c1-4-5(2)7-3-6(4)8(13,9(7,14)15)10(22,11(16,17)18)12(19,20)21/h4-7,22H,3H2,1-2H3
InChIKeyJVHLYPFATVQWQI-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 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) is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC1C(C)C2CC1C(F)(F)C2(F)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is JVHLYPFATVQWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F9O/c1-4-5(2)7-3-6(4)8(13,9(7,14)15)10(22,11(16,17)18)12(19,20)21/h4-7,22H,3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 344.22 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 20743871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).