6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

C27H28F4 — CID 139874807

IUPAC6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C27H28F4/c1-2-18-3-8-20(9-4-18)22-13-16-25-23(17-22)12-11-21(26(25)28)10-5-19-6-14-24(15-7-19)27(29,30)31/h6-7,11-18,20H,2-5,8-10H2,1H3
InChIKeyUKRSCZDGOLEIRU-UHFFFAOYSA-N
MW428.51 g/mol
LogP8.47
Rot. Bonds5

About 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139874807) has the molecular formula C27H28F4 and a molecular weight of 428.51 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
PubChem CID139874807
Molecular FormulaC27H28F4
Molecular Weight428.51 g/mol
Exact Mass428.21
IUPAC Name6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C27H28F4/c1-2-18-3-8-20(9-4-18)22-13-16-25-23(17-22)12-11-21(26(25)28)10-5-19-6-14-24(15-7-19)27(29,30)31/h6-7,11-18,20H,2-5,8-10H2,1H3
InChIKeyUKRSCZDGOLEIRU-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
5-ethyl-2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-1,3-dioxane
CID 139875165
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139861214
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139874301
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
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
2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139871120
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-(4-heptylcyclohexyl)naphthalene
CID 139873201
6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139874807) is 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is CCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1.
What is the InChIKey of 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The InChIKey is UKRSCZDGOLEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F4/c1-2-18-3-8-20(9-4-18)22-13-16-25-23(17-22)12-11-21(26(25)28)10-5-19-6-14-24(15-7-19)27(29,30)31/h6-7,11-18,20H,2-5,8-10H2,1H3.
What are the key properties of 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 428.51 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139874807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).