1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol

C4H4F6O — CID 19774378

IUPAC1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol
SMILESCC(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-2(5,3(6,7)8)4(9,10)11/h11H,1H3
InChIKeyAFAFQSUDKDOCDZ-UHFFFAOYSA-N
MW182.06 g/mol
LogP1.86
Rot. Bonds1

About 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol

1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol (PubChem CID 19774378) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol
PubChem CID19774378
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol
SMILESCC(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-2(5,3(6,7)8)4(9,10)11/h11H,1H3
InChIKeyAFAFQSUDKDOCDZ-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol (CID 19774378) is 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol is CC(F)(C(O)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol?
The InChIKey is AFAFQSUDKDOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c1-2(5,3(6,7)8)4(9,10)11/h11H,1H3.
What are the key properties of 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol?
1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol has a molecular weight of 182.06 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-2-methylpropan-1-ol is sourced from PubChem (CID 19774378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).