[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

C10H11F4NO — CID 64763726

IUPAC[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1COCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-9-2-1-7(4-15)8(3-9)5-16-6-10(12,13)14/h1-3H,4-6,15H2
InChIKeyOAFBGIFPCALWRK-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.36
Rot. Bonds4

About [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (PubChem CID 64763726) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
PubChem CID64763726
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1COCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-9-2-1-7(4-15)8(3-9)5-16-6-10(12,13)14/h1-3H,4-6,15H2
InChIKeyOAFBGIFPCALWRK-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (CID 64763726) is [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is NCc1ccc(F)cc1COCC(F)(F)F.
What is the InChIKey of [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The InChIKey is OAFBGIFPCALWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9-2-1-7(4-15)8(3-9)5-16-6-10(12,13)14/h1-3H,4-6,15H2.
What are the key properties of [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine has a molecular weight of 237.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 64763726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).