2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol

C17H22FNO — CID 57276886

IUPAC2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
SMILESCC(C)(CCc1ccc(F)cc1)C1(CCO)C=CC=N1
InChIInChI=1S/C17H22FNO/c1-16(2,17(11-13-20)9-3-12-19-17)10-8-14-4-6-15(18)7-5-14/h3-7,9,12,20H,8,10-11,13H2,1-2H3
InChIKeyFTCFFJPMRCQMGF-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol

2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol (PubChem CID 57276886) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
PubChem CID57276886
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
SMILESCC(C)(CCc1ccc(F)cc1)C1(CCO)C=CC=N1
InChIInChI=1S/C17H22FNO/c1-16(2,17(11-13-20)9-3-12-19-17)10-8-14-4-6-15(18)7-5-14/h3-7,9,12,20H,8,10-11,13H2,1-2H3
InChIKeyFTCFFJPMRCQMGF-UHFFFAOYSA-N
XLogP3.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
CID 57010627
2-[2-[1-Phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
CID 57262496
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
[4-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
CID 70117167
2-[6-fluoro-2-methyl-3-(2H-pyridin-3-ylidene)inden-1-yl]ethanol
CID 70288705
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
2-[(3Z)-6-fluoro-2-methyl-3-(2H-pyridin-3-ylidene)inden-1-yl]ethanol
CID 140407024
2-[3-(4-Fluorophenyl)pyrrol-3-yl]ethanol
CID 140989885
3-(2-Fluorophenyl)-5-imino-3-methylpentan-1-ol
CID 174322160
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol (CID 57276886) is 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol is CC(C)(CCc1ccc(F)cc1)C1(CCO)C=CC=N1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol?
The InChIKey is FTCFFJPMRCQMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-16(2,17(11-13-20)9-3-12-19-17)10-8-14-4-6-15(18)7-5-14/h3-7,9,12,20H,8,10-11,13H2,1-2H3.
What are the key properties of 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol?
2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol has a molecular weight of 275.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57276886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).