3,3,4,4,4-pentafluoro-2-methylbutan-2-ol

C5H7F5O — CID 19022260

IUPAC3,3,4,4,4-pentafluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3
InChIKeyVZNSVWKHKHDGCM-UHFFFAOYSA-N
MW178.10 g/mol
LogP1.95
Rot. Bonds1

About 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol

3,3,4,4,4-pentafluoro-2-methylbutan-2-ol (PubChem CID 19022260) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-2-methylbutan-2-ol
PubChem CID19022260
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name3,3,4,4,4-pentafluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3
InChIKeyVZNSVWKHKHDGCM-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 51.95
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 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol?
The IUPAC name of 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol (CID 19022260) is 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol?
The canonical SMILES for 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol is CC(C)(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol?
The InChIKey is VZNSVWKHKHDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3.
What are the key properties of 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol?
3,3,4,4,4-pentafluoro-2-methylbutan-2-ol has a molecular weight of 178.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-2-methylbutan-2-ol is sourced from PubChem (CID 19022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).