1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol

C17H15F6NO — CID 10498920

IUPAC1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h1-9,15,25H,10-11H2
InChIKeyNMRRDQBVICTNEI-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.64
Rot. Bonds5

About 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol

1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (PubChem CID 10498920) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
PubChem CID10498920
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h1-9,15,25H,10-11H2
InChIKeyNMRRDQBVICTNEI-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (CID 10498920) is 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is OC(CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The InChIKey is NMRRDQBVICTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h1-9,15,25H,10-11H2.
What are the key properties of 1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol has a molecular weight of 363.30 g/mol, XLogP of 4.64, 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-[N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 10498920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).