(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile

C6H11FN2 — CID 147358419

IUPAC(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNCCF
InChIInChI=1S/C6H11FN2/c1-6(4-8)5-9-3-2-7/h6,9H,2-3,5H2,1H3
InChIKeyDGTOAYGRBGKIDC-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.71
Rot. Bonds4

About (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile

(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile (PubChem CID 147358419) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
PubChem CID147358419
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNCCF
InChIInChI=1S/C6H11FN2/c1-6(4-8)5-9-3-2-7/h6,9H,2-3,5H2,1H3
InChIKeyDGTOAYGRBGKIDC-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
2-methyl-3-(octadecylamino)propanenitrile
CID 21406116
N-(2-fluoroethyl)-2-methylpropan-1-amine
CID 80699547
2-methyl-3-(2-methylsulfonylethylamino)propanenitrile
CID 60918811
3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
CID 130588939
3-[2-(3,5-difluorophenyl)ethylamino]-2-methylpropanenitrile
CID 62615603
1-N-(2-fluoroethyl)-2-N-methylpropane-1,2-diamine
CID 130504617
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
CID 63296489
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile?
The IUPAC name of (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile (CID 147358419) is (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile.
What is the SMILES notation for (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile?
The canonical SMILES for (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile is CC(C#N)CNCCF.
What is the InChIKey of (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile?
The InChIKey is DGTOAYGRBGKIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(4-8)5-9-3-2-7/h6,9H,2-3,5H2,1H3.
What are the key properties of (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile?
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile has a molecular weight of 130.17 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 147358419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).