3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol

C12H15F2NO — CID 25143662

IUPAC3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NO/c1-2-15-6-5-12(16,8-15)9-3-4-10(13)11(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyNCIWSEVOPAYAFW-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.88
Rot. Bonds2

About 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol

3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol (PubChem CID 25143662) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol
PubChem CID25143662
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NO/c1-2-15-6-5-12(16,8-15)9-3-4-10(13)11(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyNCIWSEVOPAYAFW-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol?
The IUPAC name of 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol (CID 25143662) is 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol is CCN1CCC(O)(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol?
The InChIKey is NCIWSEVOPAYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-2-15-6-5-12(16,8-15)9-3-4-10(13)11(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol?
3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol has a molecular weight of 227.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 25143662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).