1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene

C28H30F4O2 — CID 139874301

IUPAC1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCOCCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H30F4O2/c1-33-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)34-28(30,31)32/h5-6,10-15,18,20-21H,2-4,7-9,16-17H2,1H3
InChIKeyFREHIHYEFBJJCD-UHFFFAOYSA-N
MW474.54 g/mol
LogP7.97
Rot. Bonds8

About 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene

1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (PubChem CID 139874301) has the molecular formula C28H30F4O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
PubChem CID139874301
Molecular FormulaC28H30F4O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCOCCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H30F4O2/c1-33-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)34-28(30,31)32/h5-6,10-15,18,20-21H,2-4,7-9,16-17H2,1H3
InChIKeyFREHIHYEFBJJCD-UHFFFAOYSA-N
XLogP7.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane
CID 139875646
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene
CID 139873212
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875040
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-[2-[4-(3-methoxypropyl)cyclohexyl]ethyl]naphthalene
CID 139871903
4-[2-[1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139875006
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene
CID 139871894

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (CID 139874301) is 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is COCCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The InChIKey is FREHIHYEFBJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4O2/c1-33-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)34-28(30,31)32/h5-6,10-15,18,20-21H,2-4,7-9,16-17H2,1H3.
What are the key properties of 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene has a molecular weight of 474.54 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139874301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).