3-(2-fluoroethylamino)butanenitrile

C6H11FN2 — CID 126973653

IUPAC3-(2-fluoroethylamino)butanenitrile
SMILESCC(CC#N)NCCF
InChIInChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h6,9H,2-3,5H2,1H3
InChIKeyPGNJLCKLMBABGT-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.85
Rot. Bonds4

About 3-(2-fluoroethylamino)butanenitrile

3-(2-fluoroethylamino)butanenitrile (PubChem CID 126973653) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)butanenitrile.

Molecular Properties

Compound Name3-(2-fluoroethylamino)butanenitrile
PubChem CID126973653
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-(2-fluoroethylamino)butanenitrile
SMILESCC(CC#N)NCCF
InChIInChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h6,9H,2-3,5H2,1H3
InChIKeyPGNJLCKLMBABGT-UHFFFAOYSA-N
XLogP0.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Propan-2-yl)amino]propanenitrile
CID 136494
2,2'-Iminobis(propanenitrile)
CID 102888
3,3'-Azanediyldibutanenitrile
CID 56035
3-(Methylamino)butanenitrile
CID 12438035
2-(Methylamino)pentanenitrile
CID 15677233
Butane, 1-(2-cyano)ethylamino-
CID 21418006
2-(Methylamino)butanenitrile
CID 13062961
3-(Cyclopropylamino)-4,4,4-trifluorobutanenitrile
CID 132327968
2-(Propylamino)propanenitrile
CID 12724398
2-(Ethylamino)propanenitrile
CID 13758358
2-(Ethylamino)butanenitrile
CID 13758360
3-Fluoro-2-(methylamino)butanenitrile
CID 338883

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)butanenitrile?
The IUPAC name of 3-(2-fluoroethylamino)butanenitrile (CID 126973653) is 3-(2-fluoroethylamino)butanenitrile.
What is the SMILES notation for 3-(2-fluoroethylamino)butanenitrile?
The canonical SMILES for 3-(2-fluoroethylamino)butanenitrile is CC(CC#N)NCCF.
What is the InChIKey of 3-(2-fluoroethylamino)butanenitrile?
The InChIKey is PGNJLCKLMBABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h6,9H,2-3,5H2,1H3.
What are the key properties of 3-(2-fluoroethylamino)butanenitrile?
3-(2-fluoroethylamino)butanenitrile has a molecular weight of 130.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)butanenitrile is sourced from PubChem (CID 126973653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).