6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile

C10H17F3N2 — CID 116535437

IUPAC6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(2)15-9(3,7-14)5-4-6-10(11,12)13/h8,15H,4-6H2,1-3H3
InChIKeyRURGNWLDVHYZPP-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.00
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile

6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile (PubChem CID 116535437) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
PubChem CID116535437
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(2)15-9(3,7-14)5-4-6-10(11,12)13/h8,15H,4-6H2,1-3H3
InChIKeyRURGNWLDVHYZPP-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
6,6,6-trifluoro-2-methyl-2-(prop-2-ynylamino)hexanenitrile
CID 116535500
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357
6-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62786389
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 79184283
5-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 66104311
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
5-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 62231173
5-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63036442

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile (CID 116535437) is 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile is CC(C)NC(C)(C#N)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is RURGNWLDVHYZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(2)15-9(3,7-14)5-4-6-10(11,12)13/h8,15H,4-6H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile?
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 222.25 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 116535437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).