2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene

C20H23F3 — CID 20500274

IUPAC2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
SMILESCCCC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C20H23F3/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(20(21,22)23)11-10-17(18)12-16/h8-15H,2-7H2,1H3
InChIKeyRPTFHJZLJAVHKN-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.93
Rot. Bonds3

About 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene

2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene (PubChem CID 20500274) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
PubChem CID20500274
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
SMILESCCCC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C20H23F3/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(20(21,22)23)11-10-17(18)12-16/h8-15H,2-7H2,1H3
InChIKeyRPTFHJZLJAVHKN-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500358
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
2-bromo-6-(4-pentylcyclohexyl)naphthalene
CID 20500242
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The IUPAC name of 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene (CID 20500274) is 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene is CCCC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The InChIKey is RPTFHJZLJAVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-2-3-14-4-6-15(7-5-14)16-8-9-18-13-19(20(21,22)23)11-10-17(18)12-16/h8-15H,2-7H2,1H3.
What are the key properties of 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene?
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene has a molecular weight of 320.40 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene is sourced from PubChem (CID 20500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).