7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene

C32H25F9O — CID 118900579

IUPAC7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc4cc(-c5cc(F)c(F)c(F)c5)c(F)c(F)c4c3F)c(F)c2)CC1
InChIInChI=1S/C32H25F9O/c1-2-3-16-4-6-17(7-5-16)18-8-10-22(23(33)13-18)32(40,41)42-26-11-9-19-12-21(28(36)31(39)27(19)30(26)38)20-14-24(34)29(37)25(35)15-20/h8-17H,2-7H2,1H3
InChIKeyOAVFUPDPQAVWNZ-UHFFFAOYSA-N
MW596.53 g/mol
LogP10.68
Rot. Bonds7

About 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene

7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene (PubChem CID 118900579) has the molecular formula C32H25F9O and a molecular weight of 596.53 g/mol. Its IUPAC name is 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene.

Molecular Properties

Compound Name7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene
PubChem CID118900579
Molecular FormulaC32H25F9O
Molecular Weight596.53 g/mol
Exact Mass596.18
IUPAC Name7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc4cc(-c5cc(F)c(F)c(F)c5)c(F)c(F)c4c3F)c(F)c2)CC1
InChIInChI=1S/C32H25F9O/c1-2-3-16-4-6-17(7-5-16)18-8-10-22(23(33)13-18)32(40,41)42-26-11-9-19-12-21(28(36)31(39)27(19)30(26)38)20-14-24(34)29(37)25(35)15-20/h8-17H,2-7H2,1H3
InChIKeyOAVFUPDPQAVWNZ-UHFFFAOYSA-N
XLogP10.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.53
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[difluoro-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59328842
3-[4-(3,4-difluorophenyl)phenyl]-7-[difluoro-(4-propylcyclohexyl)methoxy]-1,2,8-trifluoronaphthalene
CID 118894707
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
5-[difluoro-[2-fluoro-4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 59329296
3-[4-(4-butylcyclohexyl)phenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 101366813
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59328288
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223756
1-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118592730
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344
5-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-1,2,3-trifluorobenzene
CID 22883418
5-[4-[4-[difluoro-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]methoxy]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-propylbenzene
CID 59329298

Frequently Asked Questions

What is the IUPAC name of 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene?
The IUPAC name of 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene (CID 118900579) is 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene.
What is the SMILES notation for 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene?
The canonical SMILES for 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene is CCCC1CCC(c2ccc(C(F)(F)Oc3ccc4cc(-c5cc(F)c(F)c(F)c5)c(F)c(F)c4c3F)c(F)c2)CC1.
What is the InChIKey of 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene?
The InChIKey is OAVFUPDPQAVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F9O/c1-2-3-16-4-6-17(7-5-16)18-8-10-22(23(33)13-18)32(40,41)42-26-11-9-19-12-21(28(36)31(39)27(19)30(26)38)20-14-24(34)29(37)25(35)15-20/h8-17H,2-7H2,1H3.
What are the key properties of 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene?
7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene has a molecular weight of 596.53 g/mol, XLogP of 10.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,8-trifluoro-3-(3,4,5-trifluorophenyl)naphthalene is sourced from PubChem (CID 118900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).