4,4,5,5,6,6,6-heptafluorohexan-1-ol

C6H7F7O — CID 2774911

IUPAC4,4,5,5,6,6,6-heptafluorohexan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2
InChIKeyVACKBPFJJWRSAO-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.59
Rot. Bonds4

About 4,4,5,5,6,6,6-heptafluorohexan-1-ol

4,4,5,5,6,6,6-heptafluorohexan-1-ol (PubChem CID 2774911) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluorohexan-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluorohexan-1-ol
PubChem CID2774911
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name4,4,5,5,6,6,6-heptafluorohexan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2
InChIKeyVACKBPFJJWRSAO-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,6-heptafluorohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluorohexan-1-ol?
The IUPAC name of 4,4,5,5,6,6,6-heptafluorohexan-1-ol (CID 2774911) is 4,4,5,5,6,6,6-heptafluorohexan-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluorohexan-1-ol?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluorohexan-1-ol is OCCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluorohexan-1-ol?
The InChIKey is VACKBPFJJWRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2.
What are the key properties of 4,4,5,5,6,6,6-heptafluorohexan-1-ol?
4,4,5,5,6,6,6-heptafluorohexan-1-ol has a molecular weight of 228.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluorohexan-1-ol is sourced from PubChem (CID 2774911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).