(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol

C18H19F2NO — CID 100851245

IUPAC(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
SMILESO[C@H](CN1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO/c19-15-6-7-17(20)16(10-15)18(22)12-21-9-8-14(11-21)13-4-2-1-3-5-13/h1-7,10,14,18,22H,8-9,11-12H2/t14-,18-/m1/s1
InChIKeyOMEWPFPWQIRGJZ-RDTXWAMCSA-N
MW303.35 g/mol
LogP3.49
Rot. Bonds4

About (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol

(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol (PubChem CID 100851245) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
PubChem CID100851245
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
SMILESO[C@H](CN1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO/c19-15-6-7-17(20)16(10-15)18(22)12-21-9-8-14(11-21)13-4-2-1-3-5-13/h1-7,10,14,18,22H,8-9,11-12H2/t14-,18-/m1/s1
InChIKeyOMEWPFPWQIRGJZ-RDTXWAMCSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol (CID 100851245) is (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol is O[C@H](CN1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F.
What is the InChIKey of (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The InChIKey is OMEWPFPWQIRGJZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-6-7-17(20)16(10-15)18(22)12-21-9-8-14(11-21)13-4-2-1-3-5-13/h1-7,10,14,18,22H,8-9,11-12H2/t14-,18-/m1/s1.
What are the key properties of (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol has a molecular weight of 303.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 100851245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).