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

C7H14F3NO — CID 170585607

IUPACN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine
SMILESCC(CCN(C)C)OC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(4-5-11(2)3)12-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyAUAYNKJJSYHACB-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.86
Rot. Bonds4

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

N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine (PubChem CID 170585607) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine
PubChem CID170585607
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC NameN,N-dimethyl-3-(trifluoromethoxy)butan-1-amine
SMILESCC(CCN(C)C)OC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(4-5-11(2)3)12-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyAUAYNKJJSYHACB-UHFFFAOYSA-N
XLogP1.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine?
The IUPAC name of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine (CID 170585607) is N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine is CC(CCN(C)C)OC(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine?
The InChIKey is AUAYNKJJSYHACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(4-5-11(2)3)12-7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine?
N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.86, 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 is sourced from PubChem (CID 170585607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).