1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine

C9H9F4NO — CID 70907082

IUPAC1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H9F4NO/c1-14-5-6-2-3-7(10)8(4-6)15-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyPPMLIDRVCWMQLN-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.44
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine

1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 70907082) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID70907082
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H9F4NO/c1-14-5-6-2-3-7(10)8(4-6)15-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyPPMLIDRVCWMQLN-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine (CID 70907082) is 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is PPMLIDRVCWMQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-14-5-6-2-3-7(10)8(4-6)15-9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 70907082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).