2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane

C11H10ClF3O — CID 141396711

IUPAC2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1cc(Cl)ccc1C1CCCO1
InChIInChI=1S/C11H10ClF3O/c12-7-3-4-8(10-2-1-5-16-10)9(6-7)11(13,14)15/h3-4,6,10H,1-2,5H2
InChIKeyRFKCPQDOJVMHEL-UHFFFAOYSA-N
MW250.65 g/mol
LogP4.21
Rot. Bonds1

About 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane

2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane (PubChem CID 141396711) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane
PubChem CID141396711
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1cc(Cl)ccc1C1CCCO1
InChIInChI=1S/C11H10ClF3O/c12-7-3-4-8(10-2-1-5-16-10)9(6-7)11(13,14)15/h3-4,6,10H,1-2,5H2
InChIKeyRFKCPQDOJVMHEL-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane (CID 141396711) is 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane is FC(F)(F)c1cc(Cl)ccc1C1CCCO1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane?
The InChIKey is RFKCPQDOJVMHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-7-3-4-8(10-2-1-5-16-10)9(6-7)11(13,14)15/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane?
2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane has a molecular weight of 250.65 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)phenyl]oxolane is sourced from PubChem (CID 141396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).