1-fluoro-N,N-bis(fluoromethyl)methanamine

C3H6F3N — CID 22605203

IUPAC1-fluoro-N,N-bis(fluoromethyl)methanamine
SMILESFCN(CF)CF
InChIInChI=1S/C3H6F3N/c4-1-7(2-5)3-6/h1-3H2
InChIKeyFNDCJLOPSAOMQC-UHFFFAOYSA-N
MW113.08 g/mol
LogP1.07
Rot. Bonds3

About 1-fluoro-N,N-bis(fluoromethyl)methanamine

1-fluoro-N,N-bis(fluoromethyl)methanamine (PubChem CID 22605203) has the molecular formula C3H6F3N and a molecular weight of 113.08 g/mol. Its IUPAC name is 1-fluoro-N,N-bis(fluoromethyl)methanamine.

Molecular Properties

Compound Name1-fluoro-N,N-bis(fluoromethyl)methanamine
PubChem CID22605203
Molecular FormulaC3H6F3N
Molecular Weight113.08 g/mol
Exact Mass113.05
IUPAC Name1-fluoro-N,N-bis(fluoromethyl)methanamine
SMILESFCN(CF)CF
InChIInChI=1S/C3H6F3N/c4-1-7(2-5)3-6/h1-3H2
InChIKeyFNDCJLOPSAOMQC-UHFFFAOYSA-N
XLogP1.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 51.07
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-fluoro-N,N-bis(fluoromethyl)methanamine?
The IUPAC name of 1-fluoro-N,N-bis(fluoromethyl)methanamine (CID 22605203) is 1-fluoro-N,N-bis(fluoromethyl)methanamine.
What is the SMILES notation for 1-fluoro-N,N-bis(fluoromethyl)methanamine?
The canonical SMILES for 1-fluoro-N,N-bis(fluoromethyl)methanamine is FCN(CF)CF.
What is the InChIKey of 1-fluoro-N,N-bis(fluoromethyl)methanamine?
The InChIKey is FNDCJLOPSAOMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N/c4-1-7(2-5)3-6/h1-3H2.
What are the key properties of 1-fluoro-N,N-bis(fluoromethyl)methanamine?
1-fluoro-N,N-bis(fluoromethyl)methanamine has a molecular weight of 113.08 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N-bis(fluoromethyl)methanamine is sourced from PubChem (CID 22605203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).