2,2,3,3,3-pentafluoropropan-1-ol

C3H3F5O — CID 9872

IUPAC2,2,3,3,3-pentafluoropropan-1-ol
SMILESOCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKeyPSQZJKGXDGNDFP-UHFFFAOYSA-N
MW150.05 g/mol
LogP1.18
Rot. Bonds1

About 2,2,3,3,3-pentafluoropropan-1-ol

2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 9872) has the molecular formula C3H3F5O and a molecular weight of 150.05 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID9872
Molecular FormulaC3H3F5O
Molecular Weight150.05 g/mol
Exact Mass150.01
IUPAC Name2,2,3,3,3-pentafluoropropan-1-ol
SMILESOCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKeyPSQZJKGXDGNDFP-UHFFFAOYSA-N
XLogP1.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 51.18
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 2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoropropan-1-ol (CID 9872) is 2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoropropan-1-ol is OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is PSQZJKGXDGNDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2.
What are the key properties of 2,2,3,3,3-pentafluoropropan-1-ol?
2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 150.05 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 9872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).