2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene

C28H37F3O — CID 141001890

IUPAC2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCC1CCCCC1C(C)C1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C28H37F3O/c1-3-10-22-12-6-7-14-25(22)20(2)26-15-8-9-18-27(26,32-28(29,30)31)24-17-16-21-11-4-5-13-23(21)19-24/h4-5,11,13,16-17,19-20,22,25-26H,3,6-10,12,14-15,18H2,1-2H3
InChIKeyMAHDGPAQHRXALA-UHFFFAOYSA-N
MW446.60 g/mol
LogP9.00
Rot. Bonds6

About 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene

2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene (PubChem CID 141001890) has the molecular formula C28H37F3O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene.

Molecular Properties

Compound Name2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene
PubChem CID141001890
Molecular FormulaC28H37F3O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCC1CCCCC1C(C)C1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C28H37F3O/c1-3-10-22-12-6-7-14-25(22)20(2)26-15-8-9-18-27(26,32-28(29,30)31)24-17-16-21-11-4-5-13-23(21)19-24/h4-5,11,13,16-17,19-20,22,25-26H,3,6-10,12,14-15,18H2,1-2H3
InChIKeyMAHDGPAQHRXALA-UHFFFAOYSA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001896
1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001907
1-naphthalen-2-yl-4-propylcycloheptan-1-amine
CID 65086646
1,3-difluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001920
4-methyl-1-naphthalen-2-ylcyclohexan-1-ol
CID 55115883
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
1-(1-naphthalen-2-ylcyclohexyl)propan-1-amine
CID 91217269
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
ethyl (1S,5R)-3-hydroxy-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 25132527
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736
N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
CID 146383246

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The IUPAC name of 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene (CID 141001890) is 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene.
What is the SMILES notation for 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The canonical SMILES for 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene is CCCC1CCCCC1C(C)C1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The InChIKey is MAHDGPAQHRXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3O/c1-3-10-22-12-6-7-14-25(22)20(2)26-15-8-9-18-27(26,32-28(29,30)31)24-17-16-21-11-4-5-13-23(21)19-24/h4-5,11,13,16-17,19-20,22,25-26H,3,6-10,12,14-15,18H2,1-2H3.
What are the key properties of 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene?
2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene has a molecular weight of 446.60 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene is sourced from PubChem (CID 141001890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).