3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile

C9H13F3N2 — CID 103367535

IUPAC3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile
SMILESCC1CC1CNCC(C#N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6-2-7(6)4-14-5-8(3-13)9(10,11)12/h6-8,14H,2,4-5H2,1H3
InChIKeyVSNJKLBCQSDCPT-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.93
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile (PubChem CID 103367535) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile
PubChem CID103367535
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile
SMILESCC1CC1CNCC(C#N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6-2-7(6)4-14-5-8(3-13)9(10,11)12/h6-8,14H,2,4-5H2,1H3
InChIKeyVSNJKLBCQSDCPT-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylethyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 21916086
N-(2-cyclopropylethyl)-3,3,3-trifluoropropan-1-amine
CID 21916087
N-(2,2,2-trifluoroethyl)N-2-cyclopropylethylamine
CID 21916122
(2,2-Difluoroethyl)[(2-methylcyclopropyl)methyl]amine
CID 55300015
2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine
CID 87792781
N-(2-cyclopropyl-2,2-difluoroethyl)propan-2-amine
CID 131212087
N-(2-cyclopropyl-2,2-difluoroethyl)-4-methylpentan-1-amine
CID 137488309
2-Methyl-N-(2,2,2-trifluoroethyl)cyclopropanemethanamine
CID 60997761
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
CID 60999125
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 61309982
N-(2-cyclopropylethyl)-2,2-difluoroethanamine
CID 65560989
2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 83154405

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile (CID 103367535) is 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile is CC1CC1CNCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile?
The InChIKey is VSNJKLBCQSDCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-6-2-7(6)4-14-5-8(3-13)9(10,11)12/h6-8,14H,2,4-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile has a molecular weight of 206.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).