4-[4-(trifluoromethyl)phenyl]oxane

C12H13F3O — CID 135060091

IUPAC4-[4-(trifluoromethyl)phenyl]oxane
SMILESFC(F)(F)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C12H13F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10H,5-8H2
InChIKeyKVSRZJBRCFQBNG-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.60
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]oxane

4-[4-(trifluoromethyl)phenyl]oxane (PubChem CID 135060091) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]oxane.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]oxane
PubChem CID135060091
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name4-[4-(trifluoromethyl)phenyl]oxane
SMILESFC(F)(F)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C12H13F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10H,5-8H2
InChIKeyKVSRZJBRCFQBNG-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxane?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxane (CID 135060091) is 4-[4-(trifluoromethyl)phenyl]oxane.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]oxane?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]oxane is FC(F)(F)c1ccc(C2CCOCC2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]oxane?
The InChIKey is KVSRZJBRCFQBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10H,5-8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]oxane?
4-[4-(trifluoromethyl)phenyl]oxane has a molecular weight of 230.23 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]oxane is sourced from PubChem (CID 135060091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).