2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol

C8H6F7NO — CID 10400615

IUPAC2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol
SMILESOC(c1ccc[nH]1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)4-2-1-3-16-4/h1-3,5,16-17H
InChIKeyYYGDMWPVPDWMPY-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.88
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol

2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol (PubChem CID 10400615) has the molecular formula C8H6F7NO and a molecular weight of 265.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol
PubChem CID10400615
Molecular FormulaC8H6F7NO
Molecular Weight265.13 g/mol
Exact Mass265.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol
SMILESOC(c1ccc[nH]1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)4-2-1-3-16-4/h1-3,5,16-17H
InChIKeyYYGDMWPVPDWMPY-UHFFFAOYSA-N
XLogP2.88
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.88
H-Bond Donors ≤ 52
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 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol (CID 10400615) is 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol is OC(c1ccc[nH]1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol?
The InChIKey is YYGDMWPVPDWMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F7NO/c9-6(10,7(11,12)8(13,14)15)5(17)4-2-1-3-16-4/h1-3,5,16-17H.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol?
2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol has a molecular weight of 265.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butan-1-ol is sourced from PubChem (CID 10400615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).