2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene

C30H32F6O — CID 139873933

IUPAC2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
SMILESCCC1CCC(CCc2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C30H32F6O/c1-2-19-3-5-20(6-4-19)7-8-21-10-14-25-24(15-21)13-12-23(28(25)33)11-9-22-16-26(31)29(27(32)17-22)37-18-30(34,35)36/h10,12-17,19-20H,2-9,11,18H2,1H3
InChIKeyPNOYDDHCWOMFNF-UHFFFAOYSA-N
MW522.57 g/mol
LogP9.13
Rot. Bonds9

About 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene

2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene (PubChem CID 139873933) has the molecular formula C30H32F6O and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
PubChem CID139873933
Molecular FormulaC30H32F6O
Molecular Weight522.57 g/mol
Exact Mass522.24
IUPAC Name2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
SMILESCCC1CCC(CCc2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C30H32F6O/c1-2-19-3-5-20(6-4-19)7-8-21-10-14-25-24(15-21)13-12-23(28(25)33)11-9-22-16-26(31)29(27(32)17-22)37-18-30(34,35)36/h10,12-17,19-20H,2-9,11,18H2,1H3
InChIKeyPNOYDDHCWOMFNF-UHFFFAOYSA-N
XLogP9.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139872779
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene
CID 139873435
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874454
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethoxy-2-fluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871918
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-(4-heptylcyclohexyl)naphthalene
CID 139873201
5-butoxy-2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-1,3-dioxane
CID 139871802
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(3-methoxypropyl)-1,3-dioxane
CID 139874099
6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139870686
5-but-3-enyl-2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-1,3-dioxane
CID 139871339
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139873534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene?
The IUPAC name of 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene (CID 139873933) is 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene?
The canonical SMILES for 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene is CCC1CCC(CCc2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene?
The InChIKey is PNOYDDHCWOMFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F6O/c1-2-19-3-5-20(6-4-19)7-8-21-10-14-25-24(15-21)13-12-23(28(25)33)11-9-22-16-26(31)29(27(32)17-22)37-18-30(34,35)36/h10,12-17,19-20H,2-9,11,18H2,1H3.
What are the key properties of 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene?
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene has a molecular weight of 522.57 g/mol, XLogP of 9.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).