(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane

C6ClF11O — CID 101028528

IUPAC(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@](F)(C(F)(F)F)[C@]1(F)Cl
InChIInChI=1S/C6ClF11O/c7-2(8)1(4(10,11)12,5(13,14)15)19-3(2,9)6(16,17)18/t2-,3-/m0/s1
InChIKeyKVWMUWMGLONMIV-HRFVKAFMSA-N
MW332.50 g/mol
LogP4.01
Rot. Bonds

About (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane

(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane (PubChem CID 101028528) has the molecular formula C6ClF11O and a molecular weight of 332.50 g/mol. Its IUPAC name is (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane.

Molecular Properties

Compound Name(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane
PubChem CID101028528
Molecular FormulaC6ClF11O
Molecular Weight332.50 g/mol
Exact Mass331.95
IUPAC Name(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@](F)(C(F)(F)F)[C@]1(F)Cl
InChIInChI=1S/C6ClF11O/c7-2(8)1(4(10,11)12,5(13,14)15)19-3(2,9)6(16,17)18/t2-,3-/m0/s1
InChIKeyKVWMUWMGLONMIV-HRFVKAFMSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane?
The IUPAC name of (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane (CID 101028528) is (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane.
What is the SMILES notation for (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane?
The canonical SMILES for (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane is FC(F)(F)C1(C(F)(F)F)O[C@](F)(C(F)(F)F)[C@]1(F)Cl.
What is the InChIKey of (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane?
The InChIKey is KVWMUWMGLONMIV-HRFVKAFMSA-N. The full InChI is InChI=1S/C6ClF11O/c7-2(8)1(4(10,11)12,5(13,14)15)19-3(2,9)6(16,17)18/t2-,3-/m0/s1.
What are the key properties of (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane?
(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane has a molecular weight of 332.50 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane is sourced from PubChem (CID 101028528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).