1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol

C4HF9O — CID 22446655

IUPAC1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6,3(8,9)10)2(7,14)4(11,12)13/h14H
InChIKeyQPMKHPIGPBLHCA-UHFFFAOYSA-N
MW236.03 g/mol
LogP2.40
Rot. Bonds1

About 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol

1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol (PubChem CID 22446655) has the molecular formula C4HF9O and a molecular weight of 236.03 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol
PubChem CID22446655
Molecular FormulaC4HF9O
Molecular Weight236.03 g/mol
Exact Mass235.99
IUPAC Name1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6,3(8,9)10)2(7,14)4(11,12)13/h14H
InChIKeyQPMKHPIGPBLHCA-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.03
LogP ≤ 52.40
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

Perfluoropropanol
CID 2759273
Perfluorobutanol
CID 14620145
Heptafluoropropan-2-ol
CID 12661110
Perfluoroisobutanol
CID 20225800
Octafluorobutane-2,2-diol
CID 13717695
1,1,1,2,3,3,4,4-Octafluorobutan-2-ol
CID 21243755
1,1,1,2,3,3,4,4,5,5,5-Undecafluoropentan-2-ol
CID 22446654
1,1,2,3,3,4,4,4-Octafluorobutan-2-ol
CID 54087412
1,1,2,2,3,3,3-Heptafluoropropan-1-ol;rutherfordium
CID 59876880
1,1,2,3,3,4,4-Heptafluorobutan-2-ol
CID 88837972
1,1,1,2,2,3,4,4,5,5,5-Undecafluoropentan-3-ol
CID 92042639
1,1,1,2,3,4,4,4-Octafluoro-3-(trifluoromethyl)butan-2-ol
CID 173658334

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol?
The IUPAC name of 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol (CID 22446655) is 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol is OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol?
The InChIKey is QPMKHPIGPBLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O/c5-1(6,3(8,9)10)2(7,14)4(11,12)13/h14H.
What are the key properties of 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol?
1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol has a molecular weight of 236.03 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,4-nonafluorobutan-2-ol is sourced from PubChem (CID 22446655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).