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

C17H14F7NO — CID 10619814

IUPAC1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1ccccc1C(F)(F)F)c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C17H14F7NO/c18-12-5-3-6-13(8-12)25(10-15(26)17(22,23)24)9-11-4-1-2-7-14(11)16(19,20)21/h1-8,15,26H,9-10H2
InChIKeyGRTUUSGOMZUDOM-UHFFFAOYSA-N
MW381.29 g/mol
LogP4.77
Rot. Bonds5

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

1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (PubChem CID 10619814) has the molecular formula C17H14F7NO and a molecular weight of 381.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
PubChem CID10619814
Molecular FormulaC17H14F7NO
Molecular Weight381.29 g/mol
Exact Mass381.10
IUPAC Name1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1ccccc1C(F)(F)F)c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C17H14F7NO/c18-12-5-3-6-13(8-12)25(10-15(26)17(22,23)24)9-11-4-1-2-7-14(11)16(19,20)21/h1-8,15,26H,9-10H2
InChIKeyGRTUUSGOMZUDOM-UHFFFAOYSA-N
XLogP4.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-Hydroxypropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 44527681
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
CID 44150548
1,1,1-Trifluoro-3-(m-tolyl(3-(trifluoromethyl)benzyl)amino)propan-2-ol
CID 11810932
1,1,1-Trifluoro-3-((3-(trifluoromethyl)benzyl)(3-(trifluoromethyl)phenyl)amino)propan-2-ol
CID 21301191
1,1,1-Trifluoro-3-((3-fluorophenyl)(3-(trifluoromethyl)benzyl)amino)propan-2-ol
CID 9970068
3-(Benzyl(3-fluorophenyl)amino)-1,1,1-trifluoropropan-2-ol
CID 10805120
2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol
CID 266153
1-[4-(Trifluoromethyl)phenyl]piperidin-4-ol
CID 22097674
1,1,1-Trifluoro-3-(phenyl(3-(trifluoromethyl)benzyl)amino)propan-2-ol
CID 10498920
1,1,1-Trifluoro-3-((3-fluorophenyl)(3-methylbenzyl)amino)propan-2-ol
CID 10806097
1,1,1-Trifluoro-3-(o-tolyl(3-(trifluoromethyl)benzyl)amino)propan-2-ol
CID 10948829
1,1,1-Trifluoro-3-((3-fluorophenyl)(4-methylbenzyl)amino)propan-2-ol
CID 11023887

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol (CID 10619814) is 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is OC(CN(Cc1ccccc1C(F)(F)F)c1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
The InChIKey is GRTUUSGOMZUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F7NO/c18-12-5-3-6-13(8-12)25(10-15(26)17(22,23)24)9-11-4-1-2-7-14(11)16(19,20)21/h1-8,15,26H,9-10H2.
What are the key properties of 1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol has a molecular weight of 381.29 g/mol, XLogP of 4.77, 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-[[2-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 10619814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).