1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene

C28H32F2O — CID 139871409

IUPAC1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene
SMILESCOCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H32F2O/c1-31-19-23-6-3-20(4-7-23)2-5-22-11-17-27-25(18-22)14-13-24(28(27)30)12-8-21-9-15-26(29)16-10-21/h9-11,13-18,20,23H,2-8,12,19H2,1H3
InChIKeyOPVUJXDXVRBKHE-UHFFFAOYSA-N
MW422.56 g/mol
LogP7.29
Rot. Bonds8

About 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene

1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139871409) has the molecular formula C28H32F2O and a molecular weight of 422.56 g/mol. Its IUPAC name is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene
PubChem CID139871409
Molecular FormulaC28H32F2O
Molecular Weight422.56 g/mol
Exact Mass422.24
IUPAC Name1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene
SMILESCOCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H32F2O/c1-31-19-23-6-3-20(4-7-23)2-5-22-11-17-27-25(18-22)14-13-24(28(27)30)12-8-21-9-15-26(29)16-10-21/h9-11,13-18,20,23H,2-8,12,19H2,1H3
InChIKeyOPVUJXDXVRBKHE-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.56
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene with MolForge

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Related Compounds

1-Pyrenebutanol
CID 2762672
Ether, bis(2-naphthylethyl)
CID 45455
4-(1-Pyrenyl)butyl methylphosphonofluoridate
CID 125653
2-Phenanthreneethanol, beta-methyl-
CID 218302
4-[Naphthalen-2-yl(phenyl)methylidene]oxane
CID 127053131
4-(Naphthalen-2-ylmethyl)oxane
CID 127053132
9-(1'-Pyrene)nonanol
CID 126362
(2'-Methoxyvinyl)pyrene
CID 6438564
2-Trifluoro-1-(9-anthryl) ethanol
CID 129655920
5-(Naphthalen-2-yl)-6-(4-(trifluoromethyl)phenyl)-2-oxaspiro[3.3]heptane
CID 172635857
6-(4-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635859
6-(3-Fluorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635860

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene (CID 139871409) is 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene is COCC1CCC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is OPVUJXDXVRBKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2O/c1-31-19-23-6-3-20(4-7-23)2-5-22-11-17-27-25(18-22)14-13-24(28(27)30)12-8-21-9-15-26(29)16-10-21/h9-11,13-18,20,23H,2-8,12,19H2,1H3.
What are the key properties of 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene?
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 422.56 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).