6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene

C18H18BrF3O — CID 90025398

IUPAC6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
SMILESCC1CCC(Oc2ccc3cc(Br)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C18H18BrF3O/c1-11-2-6-14(7-3-11)23-16-9-4-12-10-13(19)5-8-15(12)17(16)18(20,21)22/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyPGTNGTUGZUDSBU-UHFFFAOYSA-N
MW387.24 g/mol
LogP6.58
Rot. Bonds2

About 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene

6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene (PubChem CID 90025398) has the molecular formula C18H18BrF3O and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
PubChem CID90025398
Molecular FormulaC18H18BrF3O
Molecular Weight387.24 g/mol
Exact Mass386.05
IUPAC Name6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
SMILESCC1CCC(Oc2ccc3cc(Br)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C18H18BrF3O/c1-11-2-6-14(7-3-11)23-16-9-4-12-10-13(19)5-8-15(12)17(16)18(20,21)22/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKeyPGTNGTUGZUDSBU-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.24
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
Phenanthrene, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
CID 484412
2-Bromo-6-ethoxynaphthalene
CID 236858
2-Benzyloxy-1-bromonaphthalene
CID 378883
2-Bromo-6-butoxynaphthalene
CID 3798414
12-(3-bromophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthene-11-thione
CID 71540698
6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
CID 162654197
2-(Allyloxy)-6-bromonaphthalene
CID 272210
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
2,6-Dibromo-1,5-bis(hexyloxy)naphthalene
CID 18332103
2-Butoxy-6-(4-trifluoromethyl-phenyl)-naphthalene
CID 625712

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene?
The IUPAC name of 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene (CID 90025398) is 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene is CC1CCC(Oc2ccc3cc(Br)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene?
The InChIKey is PGTNGTUGZUDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3O/c1-11-2-6-14(7-3-11)23-16-9-4-12-10-13(19)5-8-15(12)17(16)18(20,21)22/h4-5,8-11,14H,2-3,6-7H2,1H3.
What are the key properties of 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene?
6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene has a molecular weight of 387.24 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 90025398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).