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

C6H6F8O — CID 22897892

IUPAC3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
SMILESOCC(C(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-3(4(8)6(12,13)14)2(1-15)5(9,10)11/h2-4,15H,1H2
InChIKeyZLXKSUMMRILREQ-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.40
Rot. Bonds3

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

3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol (PubChem CID 22897892) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
PubChem CID22897892
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
SMILESOCC(C(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-3(4(8)6(12,13)14)2(1-15)5(9,10)11/h2-4,15H,1H2
InChIKeyZLXKSUMMRILREQ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol (CID 22897892) is 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol is OCC(C(F)C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is ZLXKSUMMRILREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c7-3(4(8)6(12,13)14)2(1-15)5(9,10)11/h2-4,15H,1H2.
What are the key properties of 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 246.10 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 22897892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).