3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene

C32H27F7O — CID 118894707

IUPAC3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene
SMILESCCCC1CCC(C(F)(F)Oc2ccc3cc(-c4ccc(-c5ccc(F)c(F)c5)cc4)c(F)c(F)c3c2F)CC1
InChIInChI=1S/C32H27F7O/c1-2-3-18-4-12-23(13-5-18)32(38,39)40-27-15-11-22-16-24(29(35)31(37)28(22)30(27)36)20-8-6-19(7-9-20)21-10-14-25(33)26(34)17-21/h6-11,14-18,23H,2-5,12-13H2,1H3
InChIKeyDVINLNHHSJEBJN-UHFFFAOYSA-N
MW560.55 g/mol
LogP10.45
Rot. Bonds7

About 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene

3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene (PubChem CID 118894707) has the molecular formula C32H27F7O and a molecular weight of 560.55 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene
PubChem CID118894707
Molecular FormulaC32H27F7O
Molecular Weight560.55 g/mol
Exact Mass560.20
IUPAC Name3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene
SMILESCCCC1CCC(C(F)(F)Oc2ccc3cc(-c4ccc(-c5ccc(F)c(F)c5)cc4)c(F)c(F)c3c2F)CC1
InChIInChI=1S/C32H27F7O/c1-2-3-18-4-12-23(13-5-18)32(38,39)40-27-15-11-22-16-24(29(35)31(37)28(22)30(27)36)20-8-6-19(7-9-20)21-10-14-25(33)26(34)17-21/h6-11,14-18,23H,2-5,12-13H2,1H3
InChIKeyDVINLNHHSJEBJN-UHFFFAOYSA-N
XLogP10.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.55
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene with MolForge

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Related Compounds

7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene
CID 118900579
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-[4-[(3,4-difluorophenoxy)-difluoromethyl]phenyl]-2,3-difluorobenzene
CID 135223725
3-[4-(4-butylcyclohexyl)phenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 101366813
1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene
CID 118858878
2-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3-fluorophenyl]-1,3-benzoxazole
CID 155665537
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 121354195
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 144714464
2-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-1,3-benzoxazole
CID 155665528

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene?
The IUPAC name of 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene (CID 118894707) is 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene is CCCC1CCC(C(F)(F)Oc2ccc3cc(-c4ccc(-c5ccc(F)c(F)c5)cc4)c(F)c(F)c3c2F)CC1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene?
The InChIKey is DVINLNHHSJEBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F7O/c1-2-3-18-4-12-23(13-5-18)32(38,39)40-27-15-11-22-16-24(29(35)31(37)28(22)30(27)36)20-8-6-19(7-9-20)21-10-14-25(33)26(34)17-21/h6-11,14-18,23H,2-5,12-13H2,1H3.
What are the key properties of 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene?
3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene has a molecular weight of 560.55 g/mol, XLogP of 10.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene is sourced from PubChem (CID 118894707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).