1,1,2,2,3,3,3-heptafluoropropan-1-ol

C3HF7O — CID 2759273

IUPAC1,1,2,2,3,3,3-heptafluoropropan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(5,2(6,7)8)3(9,10)11/h11H
InChIKeyWBXAHKZHOCTGLP-UHFFFAOYSA-N
MW186.03 g/mol
LogP1.77
Rot. Bonds1

About 1,1,2,2,3,3,3-heptafluoropropan-1-ol

1,1,2,2,3,3,3-heptafluoropropan-1-ol (PubChem CID 2759273) has the molecular formula C3HF7O and a molecular weight of 186.03 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropan-1-ol
PubChem CID2759273
Molecular FormulaC3HF7O
Molecular Weight186.03 g/mol
Exact Mass185.99
IUPAC Name1,1,2,2,3,3,3-heptafluoropropan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O/c4-1(5,2(6,7)8)3(9,10)11/h11H
InChIKeyWBXAHKZHOCTGLP-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 51.77
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 1,1,2,2,3,3,3-heptafluoropropan-1-ol?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropan-1-ol (CID 2759273) is 1,1,2,2,3,3,3-heptafluoropropan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropan-1-ol is OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropan-1-ol?
The InChIKey is WBXAHKZHOCTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O/c4-1(5,2(6,7)8)3(9,10)11/h11H.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropan-1-ol?
1,1,2,2,3,3,3-heptafluoropropan-1-ol has a molecular weight of 186.03 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropan-1-ol is sourced from PubChem (CID 2759273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).