(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene

C32H28F10O3 — CID 88997738

IUPAC(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC([C@@H]2COc3cc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)cc3C2)CC1
InChIInChI=1S/C32H28F10O3/c1-2-3-16-4-6-17(7-5-16)20-8-19-11-23(33)22(14-28(19)43-15-20)18-9-24(34)29(25(35)10-18)31(38,39)44-21-12-26(36)30(27(37)13-21)45-32(40,41)42/h9-14,16-17,20H,2-8,15H2,1H3/t16?,17?,20-/m0/s1
InChIKeyOUOIMGBCMZGBQK-UHYCVJNDSA-N
MW650.55 g/mol
LogP10.23
Rot. Bonds8

About (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene

(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (PubChem CID 88997738) has the molecular formula C32H28F10O3 and a molecular weight of 650.55 g/mol. Its IUPAC name is (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
PubChem CID88997738
Molecular FormulaC32H28F10O3
Molecular Weight650.55 g/mol
Exact Mass650.19
IUPAC Name(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC([C@@H]2COc3cc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)cc3C2)CC1
InChIInChI=1S/C32H28F10O3/c1-2-3-16-4-6-17(7-5-16)20-8-19-11-23(33)22(14-28(19)43-15-20)18-9-24(34)29(25(35)10-18)31(38,39)44-21-12-26(36)30(27(37)13-21)45-32(40,41)42/h9-14,16-17,20H,2-8,15H2,1H3/t16?,17?,20-/m0/s1
InChIKeyOUOIMGBCMZGBQK-UHYCVJNDSA-N
XLogP10.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.55
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene 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

(3R)-7-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-(4-ethylcyclohexyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 88997697
4-[[2,6-difluoro-4-[6-fluoro-3-(4-pentylcyclohexyl)-3,4-dihydro-2H-chromen-7-yl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 89312628
7-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-6,8-difluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 89292591
7-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-(4-ethylcyclohexyl)-6,8-difluoro-3,4-dihydro-2H-chromene
CID 89312582
5-[4-[difluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]methoxy]-2-fluorophenyl]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180125
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59328288
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;ethane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane
CID 144714440
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6-fluoro-2-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 22045200
5-butyl-2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-propyloxane
CID 159187148
2-[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]cyclohexyl]-5-propyloxane
CID 140749869
2-[(4-ethyl-3,5-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 59328668

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (CID 88997738) is (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is CCCC1CCC([C@@H]2COc3cc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)cc3C2)CC1.
What is the InChIKey of (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The InChIKey is OUOIMGBCMZGBQK-UHYCVJNDSA-N. The full InChI is InChI=1S/C32H28F10O3/c1-2-3-16-4-6-17(7-5-16)20-8-19-11-23(33)22(14-28(19)43-15-20)18-9-24(34)29(25(35)10-18)31(38,39)44-21-12-26(36)30(27(37)13-21)45-32(40,41)42/h9-14,16-17,20H,2-8,15H2,1H3/t16?,17?,20-/m0/s1.
What are the key properties of (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
(3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene has a molecular weight of 650.55 g/mol, XLogP of 10.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-fluoro-3-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 88997738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).