(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane

C5Cl2F8O — CID 101028523

IUPAC(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@](F)(Cl)[C@]1(F)Cl
InChIInChI=1S/C5Cl2F8O/c6-2(8)1(4(10,11)12,5(13,14)15)16-3(2,7)9/t2-,3-/m0/s1
InChIKeyLAYFPAJNHTZJDD-HRFVKAFMSA-N
MW298.94 g/mol
LogP3.65
Rot. Bonds

About (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane

(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane (PubChem CID 101028523) has the molecular formula C5Cl2F8O and a molecular weight of 298.94 g/mol. Its IUPAC name is (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane
PubChem CID101028523
Molecular FormulaC5Cl2F8O
Molecular Weight298.94 g/mol
Exact Mass297.92
IUPAC Name(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)O[C@](F)(Cl)[C@]1(F)Cl
InChIInChI=1S/C5Cl2F8O/c6-2(8)1(4(10,11)12,5(13,14)15)16-3(2,7)9/t2-,3-/m0/s1
InChIKeyLAYFPAJNHTZJDD-HRFVKAFMSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.94
LogP ≤ 53.65
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

(2S,3R)-3-chloro-2,3-difluoro-2,4,4-tris(trifluoromethyl)oxetane
CID 101028528
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703
4,5-dichloro-4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane;4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
CID 158883552
4,5-dichloro-4,5-difluoro-2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
CID 172847592
2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
CID 23417108
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
(3R)-2,2,3-trifluoro-3-(1,2,2-trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane
CID 98047853
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
3,3,4,5-tetrafluoro-2,2-bis(trifluoromethyl)furan
CID 139601556
2,2-ditert-butyl-2-chloro-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2lambda5-dioxaphospholane
CID 12501804
2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane?
The IUPAC name of (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane (CID 101028523) is (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane.
What is the SMILES notation for (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane?
The canonical SMILES for (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane is FC(F)(F)C1(C(F)(F)F)O[C@](F)(Cl)[C@]1(F)Cl.
What is the InChIKey of (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane?
The InChIKey is LAYFPAJNHTZJDD-HRFVKAFMSA-N. The full InChI is InChI=1S/C5Cl2F8O/c6-2(8)1(4(10,11)12,5(13,14)15)16-3(2,7)9/t2-,3-/m0/s1.
What are the key properties of (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane?
(2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane has a molecular weight of 298.94 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dichloro-2,3-difluoro-4,4-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 101028523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).