3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile

C10H17F3N2 — CID 103367714

IUPAC3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile
SMILESCCC(C)CN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-4-8(2)6-15(3)7-9(5-14)10(11,12)13/h8-9H,4,6-7H2,1-3H3
InChIKeyCQUXHQVOKCRYIG-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.67
Rot. Bonds5

About 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile (PubChem CID 103367714) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile
PubChem CID103367714
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile
SMILESCCC(C)CN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-4-8(2)6-15(3)7-9(5-14)10(11,12)13/h8-9H,4,6-7H2,1-3H3
InChIKeyCQUXHQVOKCRYIG-UHFFFAOYSA-N
XLogP2.67
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 115257908
4,4,4-trifluoro-N,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 117937206
4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
CID 117937245
N,N-diethyl-2,2-difluoro-3-methylbutan-1-amine
CID 123218401
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319
N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine
CID 134269888
N-ethyl-4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 135189767
N-butyl-3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 137510890
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 139417828
ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
CID 144800476
N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine
CID 144899564

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile (CID 103367714) is 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile is CCC(C)CN(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile?
The InChIKey is CQUXHQVOKCRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-4-8(2)6-15(3)7-9(5-14)10(11,12)13/h8-9H,4,6-7H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile has a molecular weight of 222.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(2-methylbutyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).