N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine

C8H16F3N — CID 118941478

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine
SMILESCC(C)C(C)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)7(3)12(4)5-8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyTXOOJDRLFXGSMI-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.53
Rot. Bonds3

About N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine (PubChem CID 118941478) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine
PubChem CID118941478
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine
SMILESCC(C)C(C)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)7(3)12(4)5-8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyTXOOJDRLFXGSMI-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diisopropyl(2,2,3,3,3-pentafluoropropyl)amine
CID 11806562
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782
n,n-Diethyl-1,1-difluoro-2-methylpropan-1-amine
CID 10103496
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 20687192
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
N-(1,1-difluoroethyl)-N-propan-2-ylpropan-2-amine
CID 57486588
N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 57486590
N-butan-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 57680067
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 59458648
1,1,1-trifluoro-N,N,3-trimethylbutan-2-amine
CID 59790363
N-propan-2-yl-N-(1,1,2-trifluoroethyl)butan-2-amine
CID 87121246

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine (CID 118941478) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine is CC(C)C(C)N(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
The InChIKey is TXOOJDRLFXGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-6(2)7(3)12(4)5-8(9,10)11/h6-7H,5H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine is sourced from PubChem (CID 118941478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).