3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol

C24H16ClF10NO2 — CID 22038611

IUPAC3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1)C(F)(F)F
InChIInChI=1S/C24H16ClF10NO2/c25-19-6-5-17(10-18(19)23(30,31)32)38-16-3-1-2-15(9-16)36(12-21(37)24(33,34)35)11-13-8-14(22(27,28)29)4-7-20(13)26/h1-10,21,37H,11-12H2
InChIKeyWFLFJGJTGHLNBX-UHFFFAOYSA-N
MW575.83 g/mol
LogP8.24
Rot. Bonds7

About 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol

3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol (PubChem CID 22038611) has the molecular formula C24H16ClF10NO2 and a molecular weight of 575.83 g/mol. Its IUPAC name is 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
PubChem CID22038611
Molecular FormulaC24H16ClF10NO2
Molecular Weight575.83 g/mol
Exact Mass575.07
IUPAC Name3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1)C(F)(F)F
InChIInChI=1S/C24H16ClF10NO2/c25-19-6-5-17(10-18(19)23(30,31)32)38-16-3-1-2-15(9-16)36(12-21(37)24(33,34)35)11-13-8-14(22(27,28)29)4-7-20(13)26/h1-10,21,37H,11-12H2
InChIKeyWFLFJGJTGHLNBX-UHFFFAOYSA-N
XLogP8.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.83
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-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

Related Compounds

(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]anilino]propan-2-ol
CID 10281937
3-[3-(3-cyclopropylphenoxy)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10186000
1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethylsulfanyl)phenoxy]anilino]propan-2-ol
CID 142270073
(2R)-3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10168550
(2R)-3-[3-(3-tert-butylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 54370963
(2R)-3-[3-(3,5-dimethylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10458682
(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylanilino]propan-2-ol
CID 58716443
1-cyclopropyl-2-[3-(2,3-dichlorophenoxy)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]ethanol
CID 10311481
(2S)-1,1,1-trifluoro-3-[N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[3-(furan-2-yl)phenoxy]anilino]propan-2-ol
CID 123711332
(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]anilino]propan-2-ol
CID 54531722
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
2-[N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenoxy]anilino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 87973884

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol (CID 22038611) is 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol is OC(CN(Cc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1)C(F)(F)F.
What is the InChIKey of 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WFLFJGJTGHLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF10NO2/c25-19-6-5-17(10-18(19)23(30,31)32)38-16-3-1-2-15(9-16)36(12-21(37)24(33,34)35)11-13-8-14(22(27,28)29)4-7-20(13)26/h1-10,21,37H,11-12H2.
What are the key properties of 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 575.83 g/mol, XLogP of 8.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-chloro-3-(trifluoromethyl)phenoxy]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22038611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).