6,6,6-trifluorohexan-1-ol

C6H11F3O — CID 19349391

IUPAC6,6,6-trifluorohexan-1-ol
SMILESOCCCCCC(F)(F)F
InChIInChI=1S/C6H11F3O/c7-6(8,9)4-2-1-3-5-10/h10H,1-5H2
InChIKeyKQJFLYJMTLQJEW-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.10
Rot. Bonds4

About 6,6,6-trifluorohexan-1-ol

6,6,6-trifluorohexan-1-ol (PubChem CID 19349391) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 6,6,6-trifluorohexan-1-ol.

Molecular Properties

Compound Name6,6,6-trifluorohexan-1-ol
PubChem CID19349391
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name6,6,6-trifluorohexan-1-ol
SMILESOCCCCCC(F)(F)F
InChIInChI=1S/C6H11F3O/c7-6(8,9)4-2-1-3-5-10/h10H,1-5H2
InChIKeyKQJFLYJMTLQJEW-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohexan-1-ol?
The IUPAC name of 6,6,6-trifluorohexan-1-ol (CID 19349391) is 6,6,6-trifluorohexan-1-ol.
What is the SMILES notation for 6,6,6-trifluorohexan-1-ol?
The canonical SMILES for 6,6,6-trifluorohexan-1-ol is OCCCCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexan-1-ol?
The InChIKey is KQJFLYJMTLQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c7-6(8,9)4-2-1-3-5-10/h10H,1-5H2.
What are the key properties of 6,6,6-trifluorohexan-1-ol?
6,6,6-trifluorohexan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexan-1-ol is sourced from PubChem (CID 19349391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).