1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol

C8H7F6NO — CID 12910759

IUPAC1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1ccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C8H7F6NO/c1-15-3-2-5(4-15)6(16,7(9,10)11)8(12,13)14/h2-4,16H,1H3
InChIKeyTTZDYCGRMGEGRA-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.34
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol (PubChem CID 12910759) has the molecular formula C8H7F6NO and a molecular weight of 247.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
PubChem CID12910759
Molecular FormulaC8H7F6NO
Molecular Weight247.14 g/mol
Exact Mass247.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1ccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C8H7F6NO/c1-15-3-2-5(4-15)6(16,7(9,10)11)8(12,13)14/h2-4,16H,1H3
InChIKeyTTZDYCGRMGEGRA-UHFFFAOYSA-N
XLogP2.34
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol (CID 12910759) is 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol is Cn1ccc(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The InChIKey is TTZDYCGRMGEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NO/c1-15-3-2-5(4-15)6(16,7(9,10)11)8(12,13)14/h2-4,16H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol has a molecular weight of 247.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol is sourced from PubChem (CID 12910759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).