1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene

C20H23F3 — CID 59711169

IUPAC1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene
SMILESCc1ccc2cc(CCC3CCC(C)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C20H23F3/c1-12-3-6-14(7-4-12)8-10-16-11-15-9-5-13(2)18(21)17(15)20(23)19(16)22/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3
InChIKeyZHQMVMOUKAJLJT-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.32
Rot. Bonds3

About 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene

1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene (PubChem CID 59711169) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene
PubChem CID59711169
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene
SMILESCc1ccc2cc(CCC3CCC(C)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C20H23F3/c1-12-3-6-14(7-4-12)8-10-16-11-15-9-5-13(2)18(21)17(15)20(23)19(16)22/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3
InChIKeyZHQMVMOUKAJLJT-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
CID 130258085
3-[2-(4-butylcyclohexyl)ethyl]-1,2,8-trifluoro-7-propoxynaphthalene
CID 58675802
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
3-methyl-6-[2-(4-methylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile
CID 66584965
1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
CID 142376936
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
CID 147338785
CID 161186786
CID 161186786
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene?
The IUPAC name of 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene (CID 59711169) is 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene.
What is the SMILES notation for 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene?
The canonical SMILES for 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene is Cc1ccc2cc(CCC3CCC(C)CC3)c(F)c(F)c2c1F.
What is the InChIKey of 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene?
The InChIKey is ZHQMVMOUKAJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-12-3-6-14(7-4-12)8-10-16-11-15-9-5-13(2)18(21)17(15)20(23)19(16)22/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene?
1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene has a molecular weight of 320.40 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene is sourced from PubChem (CID 59711169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).