[4-(trifluoromethoxy)phenyl]methanamine

C8H8F3NO — CID 571846

IUPAC[4-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyDBGROTRFYBSUTR-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.04
Rot. Bonds2

About [4-(trifluoromethoxy)phenyl]methanamine

[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 571846) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID571846
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name[4-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyDBGROTRFYBSUTR-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methanamine (CID 571846) is [4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methanamine is NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is DBGROTRFYBSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2.
What are the key properties of [4-(trifluoromethoxy)phenyl]methanamine?
[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 191.15 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 571846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).