1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene

C22H26F4O — CID 141001907

IUPAC1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCCCC1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1F
InChIInChI=1S/C22H26F4O/c1-2-3-4-10-17-11-7-8-15-21(17,27-22(24,25)26)19-14-13-16-9-5-6-12-18(16)20(19)23/h5-6,9,12-14,17H,2-4,7-8,10-11,15H2,1H3
InChIKeyGJQYCOPHJLAIJU-UHFFFAOYSA-N
MW382.44 g/mol
LogP7.48
Rot. Bonds6

About 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene

1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene (PubChem CID 141001907) has the molecular formula C22H26F4O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
PubChem CID141001907
Molecular FormulaC22H26F4O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCCCC1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1F
InChIInChI=1S/C22H26F4O/c1-2-3-4-10-17-11-7-8-15-21(17,27-22(24,25)26)19-14-13-16-9-5-6-12-18(16)20(19)23/h5-6,9,12-14,17H,2-4,7-8,10-11,15H2,1H3
InChIKeyGJQYCOPHJLAIJU-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 57.48
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

1,3-difluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001920
1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001896
1,2,4,5-tetrafluoro-3-[1-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]propyl]-6-(4-phenylphenyl)benzene
CID 139711135
2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001890
1,2,4,5-tetrafluoro-3-[1-(1-methoxy-2-pentylcyclohexyl)propyl]-6-(4-phenylphenyl)benzene
CID 139711141
1,2,4,5-tetrafluoro-3-(4-phenylphenyl)-6-[1-[2-propyl-1-(trifluoromethoxy)cyclohexyl]propyl]benzene
CID 139711170
heptane;phenanthrene
CID 157482146
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1,1-dimethoxy-2-octylcyclododecane
CID 134883102
5-hexadecyl-2-oxaspiro[3.5]nonane-1,3-dione
CID 54188835
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The IUPAC name of 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene (CID 141001907) is 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The canonical SMILES for 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene is CCCCCC1CCCCC1(OC(F)(F)F)c1ccc2ccccc2c1F.
What is the InChIKey of 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The InChIKey is GJQYCOPHJLAIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4O/c1-2-3-4-10-17-11-7-8-15-21(17,27-22(24,25)26)19-14-13-16-9-5-6-12-18(16)20(19)23/h5-6,9,12-14,17H,2-4,7-8,10-11,15H2,1H3.
What are the key properties of 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene has a molecular weight of 382.44 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene is sourced from PubChem (CID 141001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).