1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol

C15H19F9O2 — CID 58679945

IUPAC1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
SMILESCC1C(CC(F)(F)CF)C2CC1[C@H](OCC(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C15H19F9O2/c1-7-9-2-8(10(7)4-12(17,18)5-16)3-11(9)26-6-13(25,14(19,20)21)15(22,23)24/h7-11,25H,2-6H2,1H3/t7?,8?,9?,10?,11-/m1/s1
InChIKeyVEIODPRLSXHGJB-LZTKIECASA-N
MW402.30 g/mol
LogP4.51
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol (PubChem CID 58679945) has the molecular formula C15H19F9O2 and a molecular weight of 402.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
PubChem CID58679945
Molecular FormulaC15H19F9O2
Molecular Weight402.30 g/mol
Exact Mass402.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol
SMILESCC1C(CC(F)(F)CF)C2CC1[C@H](OCC(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C15H19F9O2/c1-7-9-2-8(10(7)4-12(17,18)5-16)3-11(9)26-6-13(25,14(19,20)21)15(22,23)24/h7-11,25H,2-6H2,1H3/t7?,8?,9?,10?,11-/m1/s1
InChIKeyVEIODPRLSXHGJB-LZTKIECASA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol (CID 58679945) is 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol is CC1C(CC(F)(F)CF)C2CC1[C@H](OCC(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol?
The InChIKey is VEIODPRLSXHGJB-LZTKIECASA-N. The full InChI is InChI=1S/C15H19F9O2/c1-7-9-2-8(10(7)4-12(17,18)5-16)3-11(9)26-6-13(25,14(19,20)21)15(22,23)24/h7-11,25H,2-6H2,1H3/t7?,8?,9?,10?,11-/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol has a molecular weight of 402.30 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[[(2R)-6-methyl-5-(2,2,3-trifluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxymethyl]propan-2-ol is sourced from PubChem (CID 58679945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).