1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane

C24H41F3 — CID 14875961

IUPAC1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CCC3CCC(C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C24H41F3/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)24(25,26)27/h18-23H,2-17H2,1H3
InChIKeyQXXMVVMAENLFPQ-UHFFFAOYSA-N
MW386.59 g/mol
LogP8.55
Rot. Bonds6

About 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane

1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane (PubChem CID 14875961) has the molecular formula C24H41F3 and a molecular weight of 386.59 g/mol. Its IUPAC name is 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
PubChem CID14875961
Molecular FormulaC24H41F3
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CCC3CCC(C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C24H41F3/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)24(25,26)27/h18-23H,2-17H2,1H3
InChIKeyQXXMVVMAENLFPQ-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane (CID 14875961) is 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane is CCCC1CCC(C2CCC(CCC3CCC(C(F)(F)F)CC3)CC2)CC1.
What is the InChIKey of 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The InChIKey is QXXMVVMAENLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41F3/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)24(25,26)27/h18-23H,2-17H2,1H3.
What are the key properties of 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane has a molecular weight of 386.59 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 14875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).