3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol

C23H23Cl2F6NO3 — CID 22282178

IUPAC3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(CC1(OC(F)(F)F)CCCCC1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F
InChIInChI=1S/C23H23Cl2F6NO3/c24-17-8-5-9-18(20(17)25)34-16-7-4-6-15(12-16)32(13-19(33)22(26,27)28)14-21(35-23(29,30)31)10-2-1-3-11-21/h4-9,12,19,33H,1-3,10-11,13-14H2
InChIKeyRVEGTOZGXBLJLA-UHFFFAOYSA-N
MW546.34 g/mol
LogP7.75
Rot. Bonds8

About 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol

3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol (PubChem CID 22282178) has the molecular formula C23H23Cl2F6NO3 and a molecular weight of 546.34 g/mol. Its IUPAC name is 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
PubChem CID22282178
Molecular FormulaC23H23Cl2F6NO3
Molecular Weight546.34 g/mol
Exact Mass545.10
IUPAC Name3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(CC1(OC(F)(F)F)CCCCC1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F
InChIInChI=1S/C23H23Cl2F6NO3/c24-17-8-5-9-18(20(17)25)34-16-7-4-6-15(12-16)32(13-19(33)22(26,27)28)14-21(35-23(29,30)31)10-2-1-3-11-21/h4-9,12,19,33H,1-3,10-11,13-14H2
InChIKeyRVEGTOZGXBLJLA-UHFFFAOYSA-N
XLogP7.75
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.34
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol (CID 22282178) is 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol is OC(CN(CC1(OC(F)(F)F)CCCCC1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F.
What is the InChIKey of 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RVEGTOZGXBLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2F6NO3/c24-17-8-5-9-18(20(17)25)34-16-7-4-6-15(12-16)32(13-19(33)22(26,27)28)14-21(35-23(29,30)31)10-2-1-3-11-21/h4-9,12,19,33H,1-3,10-11,13-14H2.
What are the key properties of 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol?
3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 546.34 g/mol, XLogP of 7.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dichlorophenoxy)-N-[[1-(trifluoromethoxy)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22282178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).