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

C7H8F8O — CID 19788857

IUPAC1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol
SMILESCCC(F)(F)C(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C7H8F8O/c1-2-5(9,10)6(11,12)4(16,3-8)7(13,14)15/h16H,2-3H2,1H3
InChIKeyFYPAEBSVHHBCSF-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.93
Rot. Bonds4

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

1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol (PubChem CID 19788857) has the molecular formula C7H8F8O and a molecular weight of 260.12 g/mol. Its IUPAC name is 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol
PubChem CID19788857
Molecular FormulaC7H8F8O
Molecular Weight260.12 g/mol
Exact Mass260.04
IUPAC Name1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol
SMILESCCC(F)(F)C(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C7H8F8O/c1-2-5(9,10)6(11,12)4(16,3-8)7(13,14)15/h16H,2-3H2,1H3
InChIKeyFYPAEBSVHHBCSF-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 540479
CID 540479
CID 294166
CID 294166
CID 131853889
CID 131853889
CID 13442056
CID 13442056
CID 10586103
CID 10586103
CID 272695
CID 272695
CID 257708
CID 257708
CID 10777300
CID 10777300
CID 12586970
CID 12586970
CID 23272150
CID 23272150
CID 167713495
CID 167713495
CID 12586965
CID 12586965

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol?
The IUPAC name of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol (CID 19788857) is 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol.
What is the SMILES notation for 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol?
The canonical SMILES for 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol is CCC(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)hexan-2-ol?
The InChIKey is FYPAEBSVHHBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O/c1-2-5(9,10)6(11,12)4(16,3-8)7(13,14)15/h16H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol?
1,1,1,3,3,4,4-heptafluoro-2-(fluoromethyl)hexan-2-ol has a molecular weight of 260.12 g/mol, XLogP of 2.93, 4 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)hexan-2-ol is sourced from PubChem (CID 19788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).