4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol

C10H12F10O2 — CID 59169351

IUPAC4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol
SMILESCCC(C)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10O2/c1-3-4(2)22-5(9(15,16)17)8(13,14)7(21,6(11)12)10(18,19)20/h4-6,21H,3H2,1-2H3
InChIKeyHJAUXJLOXZEPTR-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.93
Rot. Bonds6

About 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol

4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol (PubChem CID 59169351) has the molecular formula C10H12F10O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol.

Molecular Properties

Compound Name4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol
PubChem CID59169351
Molecular FormulaC10H12F10O2
Molecular Weight354.18 g/mol
Exact Mass354.07
IUPAC Name4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol
SMILESCCC(C)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H12F10O2/c1-3-4(2)22-5(9(15,16)17)8(13,14)7(21,6(11)12)10(18,19)20/h4-6,21H,3H2,1-2H3
InChIKeyHJAUXJLOXZEPTR-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol?
The IUPAC name of 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol (CID 59169351) is 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol.
What is the SMILES notation for 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol?
The canonical SMILES for 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol is CCC(C)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.
What is the InChIKey of 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol?
The InChIKey is HJAUXJLOXZEPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O2/c1-3-4(2)22-5(9(15,16)17)8(13,14)7(21,6(11)12)10(18,19)20/h4-6,21H,3H2,1-2H3.
What are the key properties of 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol?
4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol has a molecular weight of 354.18 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol is sourced from PubChem (CID 59169351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).