3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol

C8H12F6O2 — CID 88558524

IUPAC3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-6(2,3-4-15)16-8(13,14)5(9)7(10,11)12/h5,15H,3-4H2,1-2H3
InChIKeyFOPMHPCANKQXOB-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.66
Rot. Bonds5

About 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol

3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol (PubChem CID 88558524) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol
PubChem CID88558524
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-6(2,3-4-15)16-8(13,14)5(9)7(10,11)12/h5,15H,3-4H2,1-2H3
InChIKeyFOPMHPCANKQXOB-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol?
The IUPAC name of 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol (CID 88558524) is 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol?
The canonical SMILES for 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol is CC(C)(CCO)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol?
The InChIKey is FOPMHPCANKQXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-6(2,3-4-15)16-8(13,14)5(9)7(10,11)12/h5,15H,3-4H2,1-2H3.
What are the key properties of 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol?
3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol has a molecular weight of 254.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbutan-1-ol is sourced from PubChem (CID 88558524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).