6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene

C30H41F3 — CID 174369162

IUPAC6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
SMILESCCCCC1CCC(C2CCC(CCC3(F)C(F)=CC(c4ccccc4)=CC3F)CC2)CC1
InChIInChI=1S/C30H41F3/c1-2-3-7-22-10-14-25(15-11-22)26-16-12-23(13-17-26)18-19-30(33)28(31)20-27(21-29(30)32)24-8-5-4-6-9-24/h4-6,8-9,20-23,25-26,28H,2-3,7,10-19H2,1H3
InChIKeyQQBNIIHACOOYTN-UHFFFAOYSA-N
MW458.65 g/mol
LogP9.57
Rot. Bonds8

About 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene

6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene (PubChem CID 174369162) has the molecular formula C30H41F3 and a molecular weight of 458.65 g/mol. Its IUPAC name is 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
PubChem CID174369162
Molecular FormulaC30H41F3
Molecular Weight458.65 g/mol
Exact Mass458.32
IUPAC Name6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
SMILESCCCCC1CCC(C2CCC(CCC3(F)C(F)=CC(c4ccccc4)=CC3F)CC2)CC1
InChIInChI=1S/C30H41F3/c1-2-3-7-22-10-14-25(15-11-22)26-16-12-23(13-17-26)18-19-30(33)28(31)20-27(21-29(30)32)24-8-5-4-6-9-24/h4-6,8-9,20-23,25-26,28H,2-3,7,10-19H2,1H3
InChIKeyQQBNIIHACOOYTN-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene with MolForge

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Related Compounds

5,6-difluoro-5-(4-pentylcyclohexyl)-2-phenylcyclohexa-1,3-diene
CID 174634608
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
6-bromo-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
CID 73011360
4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1,2,3-trifluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
CID 22373781
[4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobutyl]sulfanylbenzene
CID 134879335
[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorobutyl]sulfanylbenzene
CID 134879724
N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
CID 158118284
[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene
CID 67569252

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene?
The IUPAC name of 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene (CID 174369162) is 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene?
The canonical SMILES for 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene is CCCCC1CCC(C2CCC(CCC3(F)C(F)=CC(c4ccccc4)=CC3F)CC2)CC1.
What is the InChIKey of 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene?
The InChIKey is QQBNIIHACOOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3/c1-2-3-7-22-10-14-25(15-11-22)26-16-12-23(13-17-26)18-19-30(33)28(31)20-27(21-29(30)32)24-8-5-4-6-9-24/h4-6,8-9,20-23,25-26,28H,2-3,7,10-19H2,1H3.
What are the key properties of 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene?
6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene has a molecular weight of 458.65 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 174369162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).