1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine

C3H5F4N — CID 45087477

IUPAC1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESCN(CF)C(F)(F)F
InChIInChI=1S/C3H5F4N/c1-8(2-4)3(5,6)7/h2H2,1H3
InChIKeyYSIJLSVLZRKRCR-UHFFFAOYSA-N
MW131.07 g/mol
LogP1.37
Rot. Bonds1

About 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine

1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine (PubChem CID 45087477) has the molecular formula C3H5F4N and a molecular weight of 131.07 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine
PubChem CID45087477
Molecular FormulaC3H5F4N
Molecular Weight131.07 g/mol
Exact Mass131.04
IUPAC Name1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESCN(CF)C(F)(F)F
InChIInChI=1S/C3H5F4N/c1-8(2-4)3(5,6)7/h2H2,1H3
InChIKeyYSIJLSVLZRKRCR-UHFFFAOYSA-N
XLogP1.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.07
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine?
The IUPAC name of 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine (CID 45087477) is 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine.
What is the SMILES notation for 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine?
The canonical SMILES for 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine is CN(CF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine?
The InChIKey is YSIJLSVLZRKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4N/c1-8(2-4)3(5,6)7/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine?
1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine has a molecular weight of 131.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(fluoromethyl)-N-methylmethanamine is sourced from PubChem (CID 45087477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).