2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol

C13H17F2NO — CID 70310452

IUPAC2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-2-6-16-7-5-12(17)13(16)9-3-4-10(14)11(15)8-9/h3-4,8,12-13,17H,2,5-7H2,1H3
InChIKeyRGQWANQIJGJGRO-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol

2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol (PubChem CID 70310452) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
PubChem CID70310452
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-2-6-16-7-5-12(17)13(16)9-3-4-10(14)11(15)8-9/h3-4,8,12-13,17H,2,5-7H2,1H3
InChIKeyRGQWANQIJGJGRO-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
Preussin I
CID 145964355
Alpha-((diethylamino)methyl)phenethyl alcohol
CID 411826
N-benzyl-3-pyrrolidinol
CID 69889
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
(S)-(-)-1-Benzyl-3-pyrrolidinol
CID 2733875
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
CID 9942483
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1R,2S)-
CID 10856631
Preussin J
CID 145974228
2-(Benzyl-methyl-amino)-cyclohexanol
CID 13816598
Preussin
CID 3081195
1-Piperidineethanol, beta-phenyl-
CID 199647

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol (CID 70310452) is 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol is CCCN1CCC(O)C1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol?
The InChIKey is RGQWANQIJGJGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-6-16-7-5-12(17)13(16)9-3-4-10(14)11(15)8-9/h3-4,8,12-13,17H,2,5-7H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol?
2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol is sourced from PubChem (CID 70310452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).