1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol

C16H19FN2O — CID 110899499

IUPAC1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCCC1c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c17-13-6-2-1-5-12(13)16(20)11-19-10-4-8-15(19)14-7-3-9-18-14/h1-3,5-7,9,15-16,18,20H,4,8,10-11H2
InChIKeyVXBXQPIQRVWTHO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol

1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol (PubChem CID 110899499) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
PubChem CID110899499
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCCC1c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c17-13-6-2-1-5-12(13)16(20)11-19-10-4-8-15(19)14-7-3-9-18-14/h1-3,5-7,9,15-16,18,20H,4,8,10-11H2
InChIKeyVXBXQPIQRVWTHO-UHFFFAOYSA-N
XLogP3.02
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052
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CID 100844004
1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 154753678
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
CID 124788035
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol
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1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 129477556
4-[(2R)-2-hydroxy-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 124725866
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol (CID 110899499) is 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol is OC(CN1CCCC1c1ccc[nH]1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is VXBXQPIQRVWTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-13-6-2-1-5-12(13)16(20)11-19-10-4-8-15(19)14-7-3-9-18-14/h1-3,5-7,9,15-16,18,20H,4,8,10-11H2.
What are the key properties of 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 110899499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).