3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol

C6H5F9O — CID 139794564

IUPAC3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol
SMILESOCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,5(10,11)12)6(13,14)15/h16H,1-2H2
InChIKeyPPCYMWCDGGKZFS-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.84
Rot. Bonds3

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

3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol (PubChem CID 139794564) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol
PubChem CID139794564
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol
SMILESOCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,5(10,11)12)6(13,14)15/h16H,1-2H2
InChIKeyPPCYMWCDGGKZFS-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol (CID 139794564) is 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol is OCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is PPCYMWCDGGKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,5(10,11)12)6(13,14)15/h16H,1-2H2.
What are the key properties of 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol?
3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol has a molecular weight of 264.09 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 139794564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).