N,N-dimethyl-1-(trifluoromethoxy)methanamine

C4H8F3NO — CID 57128613

IUPACN,N-dimethyl-1-(trifluoromethoxy)methanamine
SMILESCN(C)COC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8(2)3-9-4(5,6)7/h3H2,1-2H3
InChIKeyWFZJQLLVUIKZAQ-UHFFFAOYSA-N
MW143.11 g/mol
LogP1.04
Rot. Bonds2

About N,N-dimethyl-1-(trifluoromethoxy)methanamine

N,N-dimethyl-1-(trifluoromethoxy)methanamine (PubChem CID 57128613) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is N,N-dimethyl-1-(trifluoromethoxy)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(trifluoromethoxy)methanamine
PubChem CID57128613
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC NameN,N-dimethyl-1-(trifluoromethoxy)methanamine
SMILESCN(C)COC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8(2)3-9-4(5,6)7/h3H2,1-2H3
InChIKeyWFZJQLLVUIKZAQ-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(trifluoromethoxy)methanamine?
The IUPAC name of N,N-dimethyl-1-(trifluoromethoxy)methanamine (CID 57128613) is N,N-dimethyl-1-(trifluoromethoxy)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(trifluoromethoxy)methanamine?
The canonical SMILES for N,N-dimethyl-1-(trifluoromethoxy)methanamine is CN(C)COC(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-(trifluoromethoxy)methanamine?
The InChIKey is WFZJQLLVUIKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-8(2)3-9-4(5,6)7/h3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(trifluoromethoxy)methanamine?
N,N-dimethyl-1-(trifluoromethoxy)methanamine has a molecular weight of 143.11 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(trifluoromethoxy)methanamine is sourced from PubChem (CID 57128613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).