1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene

C22H26F4 — CID 139856218

IUPAC1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C22H26F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h10-16H,2-9H2,1H3
InChIKeyKYSVMWPHEUHREF-UHFFFAOYSA-N
MW366.44 g/mol
LogP7.85
Rot. Bonds5

About 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene

1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene (PubChem CID 139856218) has the molecular formula C22H26F4 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
PubChem CID139856218
Molecular FormulaC22H26F4
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
SMILESCCCCCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C22H26F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h10-16H,2-9H2,1H3
InChIKeyKYSVMWPHEUHREF-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethynyl]-6-(4-hexylcyclohexyl)naphthalene
CID 139851371
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
CID 139856609
1-fluoro-6-(4-heptylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]naphthalene
CID 139851400
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
[1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-yl] trifluoromethanesulfonate
CID 139850018
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene (CID 139856218) is 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene is CCCCCC1CCC(c2ccc3c(F)c(C(F)(F)F)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene?
The InChIKey is KYSVMWPHEUHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)22(24,25)26/h10-16H,2-9H2,1H3.
What are the key properties of 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene?
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene has a molecular weight of 366.44 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).