3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol

C14H19F2NO — CID 91264878

IUPAC3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol
SMILESCC(Cc1cc(F)cc(F)c1)C(O)C1CCCN1
InChIInChI=1S/C14H19F2NO/c1-9(14(18)13-3-2-4-17-13)5-10-6-11(15)8-12(16)7-10/h6-9,13-14,17-18H,2-5H2,1H3
InChIKeyZZLXASGSYNVTII-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.26
Rot. Bonds4

About 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol

3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol (PubChem CID 91264878) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol
PubChem CID91264878
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol
SMILESCC(Cc1cc(F)cc(F)c1)C(O)C1CCCN1
InChIInChI=1S/C14H19F2NO/c1-9(14(18)13-3-2-4-17-13)5-10-6-11(15)8-12(16)7-10/h6-9,13-14,17-18H,2-5H2,1H3
InChIKeyZZLXASGSYNVTII-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol (CID 91264878) is 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol is CC(Cc1cc(F)cc(F)c1)C(O)C1CCCN1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol?
The InChIKey is ZZLXASGSYNVTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(14(18)13-3-2-4-17-13)5-10-6-11(15)8-12(16)7-10/h6-9,13-14,17-18H,2-5H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol?
3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-methyl-1-pyrrolidin-2-ylpropan-1-ol is sourced from PubChem (CID 91264878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).