1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol

C16H19F2NO — CID 91526392

IUPAC1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
SMILESCCC1(C(c2ccc(F)cc2F)C(C)(C)O)C=CC=N1
InChIInChI=1S/C16H19F2NO/c1-4-16(8-5-9-19-16)14(15(2,3)20)12-7-6-11(17)10-13(12)18/h5-10,14,20H,4H2,1-3H3
InChIKeyGDIGZAJQSUDTNK-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.61
Rot. Bonds4

About 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol

1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol (PubChem CID 91526392) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
PubChem CID91526392
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
SMILESCCC1(C(c2ccc(F)cc2F)C(C)(C)O)C=CC=N1
InChIInChI=1S/C16H19F2NO/c1-4-16(8-5-9-19-16)14(15(2,3)20)12-7-6-11(17)10-13(12)18/h5-10,14,20H,4H2,1-3H3
InChIKeyGDIGZAJQSUDTNK-UHFFFAOYSA-N
XLogP3.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
CID 57010627
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
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2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
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1-[2-(1-Phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
CID 57031362
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278
2-(2-Benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
CID 57111108
2-(2-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217
1-[(2-Benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
CID 57186650
1-(4-Chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 90847915
1-(2-Benzylpyrrol-2-yl)cyclohexan-1-ol
CID 90936444

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol (CID 91526392) is 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol is CCC1(C(c2ccc(F)cc2F)C(C)(C)O)C=CC=N1.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
The InChIKey is GDIGZAJQSUDTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-4-16(8-5-9-19-16)14(15(2,3)20)12-7-6-11(17)10-13(12)18/h5-10,14,20H,4H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol?
1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol has a molecular weight of 279.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 91526392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).