(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane

C18H16ClF3O — CID 139125286

IUPAC(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane
SMILESFC(F)(F)c1ccc(C[C@@H]2CO[C@@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H16ClF3O/c19-16-10-15(18(20,21)22)7-6-14(16)8-12-9-17(23-11-12)13-4-2-1-3-5-13/h1-7,10,12,17H,8-9,11H2/t12-,17+/m0/s1
InChIKeyXTGPQTFOIFMAGD-YVEFUNNKSA-N
MW340.77 g/mol
LogP5.68
Rot. Bonds3

About (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane

(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane (PubChem CID 139125286) has the molecular formula C18H16ClF3O and a molecular weight of 340.77 g/mol. Its IUPAC name is (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane.

Molecular Properties

Compound Name(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane
PubChem CID139125286
Molecular FormulaC18H16ClF3O
Molecular Weight340.77 g/mol
Exact Mass340.08
IUPAC Name(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane
SMILESFC(F)(F)c1ccc(C[C@@H]2CO[C@@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H16ClF3O/c19-16-10-15(18(20,21)22)7-6-14(16)8-12-9-17(23-11-12)13-4-2-1-3-5-13/h1-7,10,12,17H,8-9,11H2/t12-,17+/m0/s1
InChIKeyXTGPQTFOIFMAGD-YVEFUNNKSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.77
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane?
The IUPAC name of (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane (CID 139125286) is (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane.
What is the SMILES notation for (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane?
The canonical SMILES for (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane is FC(F)(F)c1ccc(C[C@@H]2CO[C@@H](c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane?
The InChIKey is XTGPQTFOIFMAGD-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H16ClF3O/c19-16-10-15(18(20,21)22)7-6-14(16)8-12-9-17(23-11-12)13-4-2-1-3-5-13/h1-7,10,12,17H,8-9,11H2/t12-,17+/m0/s1.
What are the key properties of (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane?
(2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane has a molecular weight of 340.77 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-phenyloxolane is sourced from PubChem (CID 139125286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).