1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol

C14H19F2NO — CID 121418845

IUPAC1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESCCCCN1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-2-3-6-17-9-11(18)8-14(17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyBCIYRNZRGPOWCY-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.87
Rot. Bonds4

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

1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol (PubChem CID 121418845) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
PubChem CID121418845
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESCCCCN1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-2-3-6-17-9-11(18)8-14(17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyBCIYRNZRGPOWCY-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol (CID 121418845) is 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol is CCCCN1CC(O)CC1c1cc(F)ccc1F.
What is the InChIKey of 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The InChIKey is BCIYRNZRGPOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-3-6-17-9-11(18)8-14(17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol has a molecular weight of 255.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 121418845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).