1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol

C6H6F8O — CID 19788856

IUPAC1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol
SMILESCC(F)(F)C(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-3(8,9)5(10,11)4(15,2-7)6(12,13)14/h15H,2H2,1H3
InChIKeyUJRSMDWMCWNHNX-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.54
Rot. Bonds3

About 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol

1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol (PubChem CID 19788856) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol
PubChem CID19788856
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol
SMILESCC(F)(F)C(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-3(8,9)5(10,11)4(15,2-7)6(12,13)14/h15H,2H2,1H3
InChIKeyUJRSMDWMCWNHNX-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol (CID 19788856) is 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol is CC(F)(F)C(F)(F)C(O)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol?
The InChIKey is UJRSMDWMCWNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-3(8,9)5(10,11)4(15,2-7)6(12,13)14/h15H,2H2,1H3.
What are the key properties of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol?
1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol has a molecular weight of 246.10 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)pentan-2-ol is sourced from PubChem (CID 19788856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).