2-fluoropyrrolidine-1-carbonitrile

C5H7FN2 — CID 87211662

IUPAC2-fluoropyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1F
InChIInChI=1S/C5H7FN2/c6-5-2-1-3-8(5)4-7/h5H,1-3H2
InChIKeyHWVLDZZOEDKIAX-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.86
Rot. Bonds

About 2-fluoropyrrolidine-1-carbonitrile

2-fluoropyrrolidine-1-carbonitrile (PubChem CID 87211662) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoropyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name2-fluoropyrrolidine-1-carbonitrile
PubChem CID87211662
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoropyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1F
InChIInChI=1S/C5H7FN2/c6-5-2-1-3-8(5)4-7/h5H,1-3H2
InChIKeyHWVLDZZOEDKIAX-UHFFFAOYSA-N
XLogP0.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-propan-2-ylpiperidine-1-carbonitrile
CID 118445246
2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile
CID 85073188
ethane;3-methylpiperidine-1-carbonitrile
CID 144937261
6-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonitrile
CID 13084755
(1-cyanopiperidin-3-yl)-trimethylazanium
CID 123480322
2-ethylazepane-1-carbonitrile
CID 104689791
(4S)-4-methylazepane-1-carbonitrile
CID 164921443
4-hydroxyazepane-1-carbonitrile
CID 131020835
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3,3,3-trifluoropropanenitrile
CID 103367969
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
(2-fluoropiperidin-1-yl)silane
CID 123311968

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-1-carbonitrile?
The IUPAC name of 2-fluoropyrrolidine-1-carbonitrile (CID 87211662) is 2-fluoropyrrolidine-1-carbonitrile.
What is the SMILES notation for 2-fluoropyrrolidine-1-carbonitrile?
The canonical SMILES for 2-fluoropyrrolidine-1-carbonitrile is N#CN1CCCC1F.
What is the InChIKey of 2-fluoropyrrolidine-1-carbonitrile?
The InChIKey is HWVLDZZOEDKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-5-2-1-3-8(5)4-7/h5H,1-3H2.
What are the key properties of 2-fluoropyrrolidine-1-carbonitrile?
2-fluoropyrrolidine-1-carbonitrile has a molecular weight of 114.12 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-1-carbonitrile is sourced from PubChem (CID 87211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).