4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine

C8H13F3N4 — CID 107048753

IUPAC4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCNC(Cc1cn(C)nn1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-12-6(4-8(9,10)11)3-7-5-15(2)14-13-7/h5-6,12H,3-4H2,1-2H3
InChIKeyGOOPLKGEOMCFSN-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.90
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine

4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine (PubChem CID 107048753) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
PubChem CID107048753
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCNC(Cc1cn(C)nn1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-12-6(4-8(9,10)11)3-7-5-15(2)14-13-7/h5-6,12H,3-4H2,1-2H3
InChIKeyGOOPLKGEOMCFSN-UHFFFAOYSA-N
XLogP0.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
N-methyl-1-(1-methyltriazol-4-yl)-3-propoxypropan-2-amine
CID 107048866
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107063863
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylbutan-2-amine
CID 113289195
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine (CID 107048753) is 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine is CNC(Cc1cn(C)nn1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
The InChIKey is GOOPLKGEOMCFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-12-6(4-8(9,10)11)3-7-5-15(2)14-13-7/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine?
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine has a molecular weight of 222.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine is sourced from PubChem (CID 107048753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).