3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile

C7H11FN2 — CID 171830005

IUPAC3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CC[C@@H](F)C1
InChIInChI=1S/C7H11FN2/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-2,4-6H2/t7-/m1/s1
InChIKeyJMDRYSULWWLUNS-SSDOTTSWSA-N
MW142.18 g/mol
LogP0.94
Rot. Bonds2

About 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile

3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile (PubChem CID 171830005) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile
PubChem CID171830005
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CC[C@@H](F)C1
InChIInChI=1S/C7H11FN2/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-2,4-6H2/t7-/m1/s1
InChIKeyJMDRYSULWWLUNS-SSDOTTSWSA-N
XLogP0.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile?
The IUPAC name of 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile (CID 171830005) is 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile is N#CCCN1CC[C@@H](F)C1.
What is the InChIKey of 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile?
The InChIKey is JMDRYSULWWLUNS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11FN2/c8-7-2-5-10(6-7)4-1-3-9/h7H,1-2,4-6H2/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile?
3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile has a molecular weight of 142.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-fluoropyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 171830005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).