7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene

C27H31F3 — CID 139961179

IUPAC7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
SMILESCCCC1CCC(C2=Cc3cc(F)c(-c4ccc(CC)c(F)c4F)cc3CC2)CC1
InChIInChI=1S/C27H31F3/c1-3-5-17-6-8-19(9-7-17)20-10-11-21-15-24(25(28)16-22(21)14-20)23-13-12-18(4-2)26(29)27(23)30/h12-17,19H,3-11H2,1-2H3
InChIKeyNQDRFZNQIFMRAV-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.27
Rot. Bonds5

About 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene

7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene (PubChem CID 139961179) has the molecular formula C27H31F3 and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
PubChem CID139961179
Molecular FormulaC27H31F3
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
SMILESCCCC1CCC(C2=Cc3cc(F)c(-c4ccc(CC)c(F)c4F)cc3CC2)CC1
InChIInChI=1S/C27H31F3/c1-3-5-17-6-8-19(9-7-17)20-10-11-21-15-24(25(28)16-22(21)14-20)23-13-12-18(4-2)26(29)27(23)30/h12-17,19H,3-11H2,1-2H3
InChIKeyNQDRFZNQIFMRAV-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
3-(4-ethylcyclohexyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961323
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139960382
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961149
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
3-(4-ethylcyclohexyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961417
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene?
The IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene (CID 139961179) is 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene?
The canonical SMILES for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene is CCCC1CCC(C2=Cc3cc(F)c(-c4ccc(CC)c(F)c4F)cc3CC2)CC1.
What is the InChIKey of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene?
The InChIKey is NQDRFZNQIFMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3/c1-3-5-17-6-8-19(9-7-17)20-10-11-21-15-24(25(28)16-22(21)14-20)23-13-12-18(4-2)26(29)27(23)30/h12-17,19H,3-11H2,1-2H3.
What are the key properties of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene?
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene has a molecular weight of 412.54 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139961179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).