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

C9H7F6NO — CID 134993981

IUPAC1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)N(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)16(9(13,14)15)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOUHWOVDYRLWRPB-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.46
Rot. Bonds3

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

1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine (PubChem CID 134993981) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine
PubChem CID134993981
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)N(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)16(9(13,14)15)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyOUHWOVDYRLWRPB-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine?
The IUPAC name of 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine (CID 134993981) is 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine.
What is the SMILES notation for 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine?
The canonical SMILES for 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine is FC(F)(F)N(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine?
The InChIKey is OUHWOVDYRLWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)16(9(13,14)15)17-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine?
1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine has a molecular weight of 259.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-phenylmethoxy-N-(trifluoromethyl)methanamine is sourced from PubChem (CID 134993981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).