2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol

C6H6F8O — CID 91695297

IUPAC2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol
SMILESOC(CC(F)(F)F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-4(8)3(6(12,13)14)2(15)1-5(9,10)11/h2-4,15H,1H2
InChIKeyIAIHKAVFKJDWSA-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.74
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol

2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol (PubChem CID 91695297) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol
PubChem CID91695297
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol
SMILESOC(CC(F)(F)F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-4(8)3(6(12,13)14)2(15)1-5(9,10)11/h2-4,15H,1H2
InChIKeyIAIHKAVFKJDWSA-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol?
The IUPAC name of 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol (CID 91695297) is 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol is OC(CC(F)(F)F)C(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol?
The InChIKey is IAIHKAVFKJDWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c7-4(8)3(6(12,13)14)2(15)1-5(9,10)11/h2-4,15H,1H2.
What are the key properties of 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol?
2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol has a molecular weight of 246.10 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol is sourced from PubChem (CID 91695297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).