(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile

C6H10F2N2 — CID 163927383

IUPAC(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile
SMILESN#C[C@H](CCF)NCCF
InChIInChI=1S/C6H10F2N2/c7-2-1-6(5-9)10-4-3-8/h6,10H,1-4H2/t6-/m0/s1
InChIKeyRFRGZJLQSACCLU-LURJTMIESA-N
MW148.16 g/mol
LogP0.80
Rot. Bonds5

About (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile

(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile (PubChem CID 163927383) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile.

Molecular Properties

Compound Name(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile
PubChem CID163927383
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile
SMILESN#C[C@H](CCF)NCCF
InChIInChI=1S/C6H10F2N2/c7-2-1-6(5-9)10-4-3-8/h6,10H,1-4H2/t6-/m0/s1
InChIKeyRFRGZJLQSACCLU-LURJTMIESA-N
XLogP0.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile?
The IUPAC name of (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile (CID 163927383) is (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile.
What is the SMILES notation for (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile?
The canonical SMILES for (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile is N#C[C@H](CCF)NCCF.
What is the InChIKey of (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile?
The InChIKey is RFRGZJLQSACCLU-LURJTMIESA-N. The full InChI is InChI=1S/C6H10F2N2/c7-2-1-6(5-9)10-4-3-8/h6,10H,1-4H2/t6-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile?
(2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile has a molecular weight of 148.16 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-(2-fluoroethylamino)butanenitrile is sourced from PubChem (CID 163927383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).