1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol

C17H17F4NO — CID 11023887

IUPAC1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol
SMILESCc1ccc(CN(CC(O)C(F)(F)F)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17F4NO/c1-12-5-7-13(8-6-12)10-22(11-16(23)17(19,20)21)15-4-2-3-14(18)9-15/h2-9,16,23H,10-11H2,1H3
InChIKeyRFLDKZIVRVSDAK-UHFFFAOYSA-N
MW327.32 g/mol
LogP4.06
Rot. Bonds5

About 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol

1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol (PubChem CID 11023887) has the molecular formula C17H17F4NO and a molecular weight of 327.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol
PubChem CID11023887
Molecular FormulaC17H17F4NO
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol
SMILESCc1ccc(CN(CC(O)C(F)(F)F)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17F4NO/c1-12-5-7-13(8-6-12)10-22(11-16(23)17(19,20)21)15-4-2-3-14(18)9-15/h2-9,16,23H,10-11H2,1H3
InChIKeyRFLDKZIVRVSDAK-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol 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-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol (CID 11023887) is 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol is Cc1ccc(CN(CC(O)C(F)(F)F)c2cccc(F)c2)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol?
The InChIKey is RFLDKZIVRVSDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO/c1-12-5-7-13(8-6-12)10-22(11-16(23)17(19,20)21)15-4-2-3-14(18)9-15/h2-9,16,23H,10-11H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol has a molecular weight of 327.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-fluoro-N-[(4-methylphenyl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 11023887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).