2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H25F6NO — CID 88716938

IUPAC2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)[nH]c1CCCCC
InChIInChI=1S/C17H25F6NO/c1-3-5-7-9-12-11-14(24-13(12)10-8-6-4-2)15(25,16(18,19)20)17(21,22)23/h11,24-25H,3-10H2,1-2H3
InChIKeyZPPUIPDXTXDKGD-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.79
Rot. Bonds9

About 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 88716938) has the molecular formula C17H25F6NO and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID88716938
Molecular FormulaC17H25F6NO
Molecular Weight373.38 g/mol
Exact Mass373.18
IUPAC Name2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)[nH]c1CCCCC
InChIInChI=1S/C17H25F6NO/c1-3-5-7-9-12-11-14(24-13(12)10-8-6-4-2)15(25,16(18,19)20)17(21,22)23/h11,24-25H,3-10H2,1-2H3
InChIKeyZPPUIPDXTXDKGD-UHFFFAOYSA-N
XLogP5.79
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058299
ethyl 3-(3,5-dimethyl-1H-pyrrol-2-yl)-4,4,4-trifluoro-3-hydroxybutanoate
CID 23237343
1-(3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl)cyclohexanol
CID 24793994
1-(3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl)cyclohexanol
CID 24794050
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058296
1-(5-Phenyl-1H-pyrrole-2-yl)-2,2,2-trifluoroethanol
CID 3127243
1,1,1-trifluoro-2-(3-methyl-1H-indol-2-yl)propan-2-ol
CID 14786055
(R)-1-Phenyl-1-(1H-indole-2-yl)-2,2,2-trifluoroethanol
CID 102280271
(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 134942002

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 88716938) is 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)[nH]c1CCCCC.
What is the InChIKey of 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZPPUIPDXTXDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F6NO/c1-3-5-7-9-12-11-14(24-13(12)10-8-6-4-2)15(25,16(18,19)20)17(21,22)23/h11,24-25H,3-10H2,1-2H3.
What are the key properties of 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 373.38 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 88716938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).