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

C12H15F2NO — CID 18333583

IUPAC2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2F)CCNC1
InChIInChI=1S/C12H15F2NO/c13-9-1-2-10(11(14)7-9)12(4-6-16)3-5-15-8-12/h1-2,7,15-16H,3-6,8H2
InChIKeyRADGZFACRJJHIL-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.58
Rot. Bonds3

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

2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 18333583) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
PubChem CID18333583
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2F)CCNC1
InChIInChI=1S/C12H15F2NO/c13-9-1-2-10(11(14)7-9)12(4-6-16)3-5-15-8-12/h1-2,7,15-16H,3-6,8H2
InChIKeyRADGZFACRJJHIL-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol (CID 18333583) is 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol is OCCC1(c2ccc(F)cc2F)CCNC1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RADGZFACRJJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-1-2-10(11(14)7-9)12(4-6-16)3-5-15-8-12/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol?
2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 227.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 18333583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).