1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol

C12H15F2NO — CID 66999146

IUPAC1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CNCC1c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-7(16)10-5-15-6-11(10)9-3-2-8(13)4-12(9)14/h2-4,7,10-11,15-16H,5-6H2,1H3
InChIKeyJATKVXPFESQHTE-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.65
Rot. Bonds2

About 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol

1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 66999146) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
PubChem CID66999146
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CNCC1c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-7(16)10-5-15-6-11(10)9-3-2-8(13)4-12(9)14/h2-4,7,10-11,15-16H,5-6H2,1H3
InChIKeyJATKVXPFESQHTE-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol (CID 66999146) is 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol is CC(O)C1CNCC1c1ccc(F)cc1F.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JATKVXPFESQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(16)10-5-15-6-11(10)9-3-2-8(13)4-12(9)14/h2-4,7,10-11,15-16H,5-6H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 227.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 66999146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).