2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C26H37F3 — CID 58839727

IUPAC2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(C2CCC(C3CCc4cc(C(F)(F)F)ccc4C3)CC2)CC1
InChIInChI=1S/C26H37F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-13-24-17-25(26(27,28)29)15-14-23(24)16-22/h14-15,17-22H,2-13,16H2,1H3
InChIKeyCBAWCSNDIDYOBM-UHFFFAOYSA-N
MW406.58 g/mol
LogP8.22
Rot. Bonds4

About 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 58839727) has the molecular formula C26H37F3 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID58839727
Molecular FormulaC26H37F3
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCC(C2CCC(C3CCc4cc(C(F)(F)F)ccc4C3)CC2)CC1
InChIInChI=1S/C26H37F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-13-24-17-25(26(27,28)29)15-14-23(24)16-22/h14-15,17-22H,2-13,16H2,1H3
InChIKeyCBAWCSNDIDYOBM-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.58
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 139864866
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
7-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58839845
6-fluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139867557
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
CID 67818490
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
6-(difluoromethoxy)-2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865265
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852148
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 58839727) is 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is CCCC1CCC(C2CCC(C3CCc4cc(C(F)(F)F)ccc4C3)CC2)CC1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CBAWCSNDIDYOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-13-24-17-25(26(27,28)29)15-14-23(24)16-22/h14-15,17-22H,2-13,16H2,1H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 406.58 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 58839727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).