1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol

C10H11F7O2 — CID 59678750

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
SMILESOC(CC1(F)CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F7O2/c11-7(3-5-1-2-6(7)19-5)4-8(18,9(12,13)14)10(15,16)17/h5-6,18H,1-4H2
InChIKeySHRNWNMBZXGRKV-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.89
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol (PubChem CID 59678750) has the molecular formula C10H11F7O2 and a molecular weight of 296.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
PubChem CID59678750
Molecular FormulaC10H11F7O2
Molecular Weight296.18 g/mol
Exact Mass296.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol
SMILESOC(CC1(F)CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F7O2/c11-7(3-5-1-2-6(7)19-5)4-8(18,9(12,13)14)10(15,16)17/h5-6,18H,1-4H2
InChIKeySHRNWNMBZXGRKV-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol (CID 59678750) is 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol is OC(CC1(F)CC2CCC1O2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
The InChIKey is SHRNWNMBZXGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O2/c11-7(3-5-1-2-6(7)19-5)4-8(18,9(12,13)14)10(15,16)17/h5-6,18H,1-4H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol has a molecular weight of 296.18 g/mol, XLogP of 2.89, 2 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-[(2-fluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-2-ol is sourced from PubChem (CID 59678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).