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

C14H23F3O — CID 58555665

IUPAC2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C14H23F3O/c1-2-3-12-8-9-13(18-12)10-4-6-11(7-5-10)14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyYDYDOKDEOAXLGD-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.70
Rot. Bonds3

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

2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane (PubChem CID 58555665) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane.

Molecular Properties

Compound Name2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane
PubChem CID58555665
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C14H23F3O/c1-2-3-12-8-9-13(18-12)10-4-6-11(7-5-10)14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyYDYDOKDEOAXLGD-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.70
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-(trifluoromethyl)cyclohexyl]oxolane?
The IUPAC name of 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane (CID 58555665) is 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane.
What is the SMILES notation for 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane?
The canonical SMILES for 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane is CCCC1CCC(C2CCC(C(F)(F)F)CC2)O1.
What is the InChIKey of 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane?
The InChIKey is YDYDOKDEOAXLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O/c1-2-3-12-8-9-13(18-12)10-4-6-11(7-5-10)14(15,16)17/h10-13H,2-9H2,1H3.
What are the key properties of 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane?
2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane has a molecular weight of 264.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(trifluoromethyl)cyclohexyl]oxolane is sourced from PubChem (CID 58555665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).