1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene

C24H32F2O — CID 139861191

IUPAC1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3c(OC(F)F)c(CC)ccc3c2)CC1
InChIInChI=1S/C24H32F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h12-17,19,24H,3-11H2,1-2H3
InChIKeyCUOINBIETJQADK-UHFFFAOYSA-N
MW374.52 g/mol
LogP7.86
Rot. Bonds8

About 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene

1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene (PubChem CID 139861191) has the molecular formula C24H32F2O and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
PubChem CID139861191
Molecular FormulaC24H32F2O
Molecular Weight374.52 g/mol
Exact Mass374.24
IUPAC Name1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3c(OC(F)F)c(CC)ccc3c2)CC1
InChIInChI=1S/C24H32F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h12-17,19,24H,3-11H2,1-2H3
InChIKeyCUOINBIETJQADK-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene
CID 139864018
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
6-[(6R,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1-fluoronaphthalene
CID 20808319
2-(difluoromethoxy)-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383380
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene?
The IUPAC name of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene (CID 139861191) is 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene is CCCCCC1CCC(c2ccc3c(OC(F)F)c(CC)ccc3c2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene?
The InChIKey is CUOINBIETJQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h12-17,19,24H,3-11H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene?
1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene has a molecular weight of 374.52 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene is sourced from PubChem (CID 139861191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).