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

C17H14F7NO2 — CID 10763332

IUPAC1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C17H14F7NO2/c18-12-2-1-3-13(8-12)25(10-15(26)16(19,20)21)9-11-4-6-14(7-5-11)27-17(22,23)24/h1-8,15,26H,9-10H2
InChIKeyBGFJNVDXDSGOQQ-UHFFFAOYSA-N
MW397.29 g/mol
LogP4.65
Rot. Bonds6

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

1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol (PubChem CID 10763332) has the molecular formula C17H14F7NO2 and a molecular weight of 397.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol
PubChem CID10763332
Molecular FormulaC17H14F7NO2
Molecular Weight397.29 g/mol
Exact Mass397.09
IUPAC Name1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(F)(F)F
InChIInChI=1S/C17H14F7NO2/c18-12-2-1-3-13(8-12)25(10-15(26)16(19,20)21)9-11-4-6-14(7-5-11)27-17(22,23)24/h1-8,15,26H,9-10H2
InChIKeyBGFJNVDXDSGOQQ-UHFFFAOYSA-N
XLogP4.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-benzyl-3-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 10805120
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886784
(2S)-3-[[4-chloro-6-(4-fluorophenoxy)-1,3,5-triazin-2-yl]-[[3-(trifluoromethoxy)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 160617480
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]anilino]propan-2-ol
CID 10167660
3-[3-bromo-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10863893
4-[3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]phenoxy]phenol
CID 10918359
3-[N-[(3-benzylphenyl)methyl]-3-phenoxyanilino]-1,1,1-trifluoropropan-2-ol
CID 23506007
1,1,1-trifluoro-3-[3-[[3-(fluoromethyl)phenyl]methyl]-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 59072126
1,1,1-trifluoro-3-[3-(4-propan-2-ylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 11092814
3-[N-(cyclopropylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methoxy]anilino]-1,1,1-trifluoropropan-2-ol
CID 10225784
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 23378761

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol (CID 10763332) is 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol is OC(CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol?
The InChIKey is BGFJNVDXDSGOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F7NO2/c18-12-2-1-3-13(8-12)25(10-15(26)16(19,20)21)9-11-4-6-14(7-5-11)27-17(22,23)24/h1-8,15,26H,9-10H2.
What are the key properties of 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol has a molecular weight of 397.29 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 10763332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).