1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine

C10H8F7NO — CID 144882273

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine
SMILESCNC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c1-18-8(9(12,13)14,10(15,16)17)19-7-4-2-6(11)3-5-7/h2-5,18H,1H3
InChIKeyMGHDGSKJKYOLAU-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.24
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine

1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine (PubChem CID 144882273) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine
PubChem CID144882273
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine
SMILESCNC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c1-18-8(9(12,13)14,10(15,16)17)19-7-4-2-6(11)3-5-7/h2-5,18H,1H3
InChIKeyMGHDGSKJKYOLAU-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine (CID 144882273) is 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine is CNC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine?
The InChIKey is MGHDGSKJKYOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F7NO/c1-18-8(9(12,13)14,10(15,16)17)19-7-4-2-6(11)3-5-7/h2-5,18H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine?
1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine has a molecular weight of 291.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 144882273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).