1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine

C3H3F6N — CID 12804489

IUPAC1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine
SMILESCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6N/c1-10(2(4,5)6)3(7,8)9/h1H3
InChIKeyBMEQNKPPKMOVAY-UHFFFAOYSA-N
MW167.05 g/mol
LogP1.96
Rot. Bonds

About 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine

1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine (PubChem CID 12804489) has the molecular formula C3H3F6N and a molecular weight of 167.05 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine
PubChem CID12804489
Molecular FormulaC3H3F6N
Molecular Weight167.05 g/mol
Exact Mass167.02
IUPAC Name1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine
SMILESCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6N/c1-10(2(4,5)6)3(7,8)9/h1H3
InChIKeyBMEQNKPPKMOVAY-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 51.96
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-methyl-N-(trifluoromethyl)methanamine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine (CID 12804489) is 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine is CN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine?
The InChIKey is BMEQNKPPKMOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6N/c1-10(2(4,5)6)3(7,8)9/h1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine?
1,1,1-trifluoro-N-methyl-N-(trifluoromethyl)methanamine has a molecular weight of 167.05 g/mol, XLogP of 1.96, 0 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-methyl-N-(trifluoromethyl)methanamine is sourced from PubChem (CID 12804489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).