2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane

C20H27F3O — CID 58555520

IUPAC2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)O1
InChIInChI=1S/C20H27F3O/c1-2-3-18-12-13-19(24-18)16-6-4-14(5-7-16)15-8-10-17(11-9-15)20(21,22)23/h8-11,14,16,18-19H,2-7,12-13H2,1H3
InChIKeySPGRXCJXKLPFBA-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.33
Rot. Bonds4

About 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane

2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane (PubChem CID 58555520) has the molecular formula C20H27F3O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane.

Molecular Properties

Compound Name2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane
PubChem CID58555520
Molecular FormulaC20H27F3O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)O1
InChIInChI=1S/C20H27F3O/c1-2-3-18-12-13-19(24-18)16-6-4-14(5-7-16)15-8-10-17(11-9-15)20(21,22)23/h8-11,14,16,18-19H,2-7,12-13H2,1H3
InChIKeySPGRXCJXKLPFBA-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane?
The IUPAC name of 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane (CID 58555520) is 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane.
What is the SMILES notation for 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane?
The canonical SMILES for 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane is CCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)O1.
What is the InChIKey of 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane?
The InChIKey is SPGRXCJXKLPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3O/c1-2-3-18-12-13-19(24-18)16-6-4-14(5-7-16)15-8-10-17(11-9-15)20(21,22)23/h8-11,14,16,18-19H,2-7,12-13H2,1H3.
What are the key properties of 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane?
2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane has a molecular weight of 340.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxolane is sourced from PubChem (CID 58555520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).