(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane

C13H14ClF3O — CID 118685866

IUPAC(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane
SMILESCC[C@@H]1CCC(c2ccc(Cl)cc2C(F)(F)F)O1
InChIInChI=1S/C13H14ClF3O/c1-2-9-4-6-12(18-9)10-5-3-8(14)7-11(10)13(15,16)17/h3,5,7,9,12H,2,4,6H2,1H3/t9-,12?/m1/s1
InChIKeyBSBHXQBKNIOSCL-PKEIRNPWSA-N
MW278.70 g/mol
LogP4.99
Rot. Bonds2

About (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane

(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane (PubChem CID 118685866) has the molecular formula C13H14ClF3O and a molecular weight of 278.70 g/mol. Its IUPAC name is (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane.

Molecular Properties

Compound Name(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane
PubChem CID118685866
Molecular FormulaC13H14ClF3O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane
SMILESCC[C@@H]1CCC(c2ccc(Cl)cc2C(F)(F)F)O1
InChIInChI=1S/C13H14ClF3O/c1-2-9-4-6-12(18-9)10-5-3-8(14)7-11(10)13(15,16)17/h3,5,7,9,12H,2,4,6H2,1H3/t9-,12?/m1/s1
InChIKeyBSBHXQBKNIOSCL-PKEIRNPWSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane?
The IUPAC name of (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane (CID 118685866) is (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane.
What is the SMILES notation for (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane?
The canonical SMILES for (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane is CC[C@@H]1CCC(c2ccc(Cl)cc2C(F)(F)F)O1.
What is the InChIKey of (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane?
The InChIKey is BSBHXQBKNIOSCL-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H14ClF3O/c1-2-9-4-6-12(18-9)10-5-3-8(14)7-11(10)13(15,16)17/h3,5,7,9,12H,2,4,6H2,1H3/t9-,12?/m1/s1.
What are the key properties of (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane?
(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane has a molecular weight of 278.70 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane is sourced from PubChem (CID 118685866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).