5,5,6,6,6-pentafluorohexan-3-ol

C6H9F5O — CID 154388893

IUPAC5,5,6,6,6-pentafluorohexan-3-ol
SMILESCCC(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-2-4(12)3-5(7,8)6(9,10)11/h4,12H,2-3H2,1H3
InChIKeyUPINCFSWISPARO-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.35
Rot. Bonds3

About 5,5,6,6,6-pentafluorohexan-3-ol

5,5,6,6,6-pentafluorohexan-3-ol (PubChem CID 154388893) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 5,5,6,6,6-pentafluorohexan-3-ol.

Molecular Properties

Compound Name5,5,6,6,6-pentafluorohexan-3-ol
PubChem CID154388893
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name5,5,6,6,6-pentafluorohexan-3-ol
SMILESCCC(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-2-4(12)3-5(7,8)6(9,10)11/h4,12H,2-3H2,1H3
InChIKeyUPINCFSWISPARO-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.35
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 5,5,6,6,6-pentafluorohexan-3-ol?
The IUPAC name of 5,5,6,6,6-pentafluorohexan-3-ol (CID 154388893) is 5,5,6,6,6-pentafluorohexan-3-ol.
What is the SMILES notation for 5,5,6,6,6-pentafluorohexan-3-ol?
The canonical SMILES for 5,5,6,6,6-pentafluorohexan-3-ol is CCC(O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,6-pentafluorohexan-3-ol?
The InChIKey is UPINCFSWISPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-2-4(12)3-5(7,8)6(9,10)11/h4,12H,2-3H2,1H3.
What are the key properties of 5,5,6,6,6-pentafluorohexan-3-ol?
5,5,6,6,6-pentafluorohexan-3-ol has a molecular weight of 192.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,6-pentafluorohexan-3-ol is sourced from PubChem (CID 154388893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).