1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

C7H5F11O — CID 59302189

IUPAC1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3
InChIKeyDVMQDZUURBLMOB-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.68
Rot. Bonds2

About 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol

1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (PubChem CID 59302189) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
PubChem CID59302189
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3
InChIKeyDVMQDZUURBLMOB-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol (CID 59302189) is 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is CC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is DVMQDZUURBLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-2(4(10,11)12)3(8,9)5(19,6(13,14)15)7(16,17)18/h2,19H,1H3.
What are the key properties of 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol?
1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 314.09 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,5,5,5-octafluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 59302189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).