(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane

C11H10ClF3O — CID 102201360

IUPAC(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1ccc([C@H]2OCC[C@@H]2Cl)cc1
InChIInChI=1S/C11H10ClF3O/c12-9-5-6-16-10(9)7-1-3-8(4-2-7)11(13,14)15/h1-4,9-10H,5-6H2/t9-,10+/m0/s1
InChIKeyKRAQREBXQQJNIY-VHSXEESVSA-N
MW250.65 g/mol
LogP3.77
Rot. Bonds1

About (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane

(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane (PubChem CID 102201360) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane.

Molecular Properties

Compound Name(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane
PubChem CID102201360
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1ccc([C@H]2OCC[C@@H]2Cl)cc1
InChIInChI=1S/C11H10ClF3O/c12-9-5-6-16-10(9)7-1-3-8(4-2-7)11(13,14)15/h1-4,9-10H,5-6H2/t9-,10+/m0/s1
InChIKeyKRAQREBXQQJNIY-VHSXEESVSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]oxane
CID 79373159
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
2-[4-(trifluoromethyl)phenyl]oxolane
CID 72665644
1-[(2R,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]oxycarbonylcyclopropane-1-carboxylic acid
CID 164679393
3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 105470618
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
2-(4-chlorophenyl)-4-methyl-3-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 118456643
(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane?
The IUPAC name of (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane (CID 102201360) is (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane.
What is the SMILES notation for (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane?
The canonical SMILES for (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane is FC(F)(F)c1ccc([C@H]2OCC[C@@H]2Cl)cc1.
What is the InChIKey of (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane?
The InChIKey is KRAQREBXQQJNIY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-9-5-6-16-10(9)7-1-3-8(4-2-7)11(13,14)15/h1-4,9-10H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane?
(2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane has a molecular weight of 250.65 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-chloro-2-[4-(trifluoromethyl)phenyl]oxolane is sourced from PubChem (CID 102201360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).