5,5,6,6-tetrafluorohexan-3-ol

C6H10F4O — CID 131228831

IUPAC5,5,6,6-tetrafluorohexan-3-ol
SMILESCCC(O)CC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-2-4(11)3-6(9,10)5(7)8/h4-5,11H,2-3H2,1H3
InChIKeyHNMWBDXSLLBMHO-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.05
Rot. Bonds4

About 5,5,6,6-tetrafluorohexan-3-ol

5,5,6,6-tetrafluorohexan-3-ol (PubChem CID 131228831) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 5,5,6,6-tetrafluorohexan-3-ol.

Molecular Properties

Compound Name5,5,6,6-tetrafluorohexan-3-ol
PubChem CID131228831
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name5,5,6,6-tetrafluorohexan-3-ol
SMILESCCC(O)CC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-2-4(11)3-6(9,10)5(7)8/h4-5,11H,2-3H2,1H3
InChIKeyHNMWBDXSLLBMHO-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetrafluoropentan-2-ol
CID 131061196
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
1-bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 151013358
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
pentane-1,1,1,3-tetrol
CID 176711420
pentan-3-ol
CID 11428
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
pentan-3-ol;dihydrochloride
CID 141116397
4-amino-4-(1-hydroxypropyl)octane-3,6-diol
CID 140506269
5-bromo-1,1,2,2-tetrafluoro-4-methylpentane
CID 131228851

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluorohexan-3-ol?
The IUPAC name of 5,5,6,6-tetrafluorohexan-3-ol (CID 131228831) is 5,5,6,6-tetrafluorohexan-3-ol.
What is the SMILES notation for 5,5,6,6-tetrafluorohexan-3-ol?
The canonical SMILES for 5,5,6,6-tetrafluorohexan-3-ol is CCC(O)CC(F)(F)C(F)F.
What is the InChIKey of 5,5,6,6-tetrafluorohexan-3-ol?
The InChIKey is HNMWBDXSLLBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-2-4(11)3-6(9,10)5(7)8/h4-5,11H,2-3H2,1H3.
What are the key properties of 5,5,6,6-tetrafluorohexan-3-ol?
5,5,6,6-tetrafluorohexan-3-ol has a molecular weight of 174.14 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluorohexan-3-ol is sourced from PubChem (CID 131228831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).