N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane

C9H20F3NO — CID 170585606

IUPACN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane
SMILESCC.CC(CCN(C)C)OC(F)(F)F
InChIInChI=1S/C7H14F3NO.C2H6/c1-6(4-5-11(2)3)12-7(8,9)10;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyAAOWZDMYKDEJRR-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.89
Rot. Bonds4

About N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane

N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane (PubChem CID 170585606) has the molecular formula C9H20F3NO and a molecular weight of 215.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane
PubChem CID170585606
Molecular FormulaC9H20F3NO
Molecular Weight215.26 g/mol
Exact Mass215.15
IUPAC NameN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane
SMILESCC.CC(CCN(C)C)OC(F)(F)F
InChIInChI=1S/C7H14F3NO.C2H6/c1-6(4-5-11(2)3)12-7(8,9)10;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyAAOWZDMYKDEJRR-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane (CID 170585606) is N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane is CC.CC(CCN(C)C)OC(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane?
The InChIKey is AAOWZDMYKDEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO.C2H6/c1-6(4-5-11(2)3)12-7(8,9)10;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane?
N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane has a molecular weight of 215.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane is sourced from PubChem (CID 170585606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).