1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

C10H11F7O — CID 20743874

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C10H11F7O/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17/h5-6,18H,1-4H2
InChIKeyBABUCTIVKIACNT-UHFFFAOYSA-N
MW280.18 g/mol
LogP3.37
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 20743874) has the molecular formula C10H11F7O and a molecular weight of 280.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID20743874
Molecular FormulaC10H11F7O
Molecular Weight280.18 g/mol
Exact Mass280.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C10H11F7O/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17/h5-6,18H,1-4H2
InChIKeyBABUCTIVKIACNT-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 53.37
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-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 20743874) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is BABUCTIVKIACNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O/c11-7(4-5-1-2-6(7)3-5)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-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 280.18 g/mol, XLogP of 3.37, 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-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 20743874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).