(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one

C7H8F4O4 — CID 97104260

IUPAC(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H](COCC(F)(F)C(F)F)O1
InChIInChI=1S/C7H8F4O4/c8-5(9)7(10,11)3-13-1-4-2-14-6(12)15-4/h4-5H,1-3H2/t4-/m1/s1
InChIKeyQGDPMSPKJHCTMF-SCSAIBSYSA-N
MW232.13 g/mol
LogP1.44
Rot. Bonds5

About (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one

(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one (PubChem CID 97104260) has the molecular formula C7H8F4O4 and a molecular weight of 232.13 g/mol. Its IUPAC name is (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one
PubChem CID97104260
Molecular FormulaC7H8F4O4
Molecular Weight232.13 g/mol
Exact Mass232.04
IUPAC Name(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H](COCC(F)(F)C(F)F)O1
InChIInChI=1S/C7H8F4O4/c8-5(9)7(10,11)3-13-1-4-2-14-6(12)15-4/h4-5H,1-3H2/t4-/m1/s1
InChIKeyQGDPMSPKJHCTMF-SCSAIBSYSA-N
XLogP1.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-difluoro-3-methylbutoxy)methyl]-1,3-dioxolan-2-one
CID 122450409
1,1-difluoro-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonic acid
CID 121354726
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 154528659
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
carbon dioxide;2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane;bis(4-[[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-2,2-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]propoxy]methyl]-1,3-dioxolan-2-one)
CID 160740961
4-(3,3,4,4,5,5,5-heptafluoropentoxymethyl)-1,3-dioxolan-2-one
CID 138625430
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
4-[[1-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]cyclohexyl]methoxymethyl]-1,3-dioxolan-2-one
CID 18702135
4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
CID 144608908
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336
4-[[2-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]-2-[(4-oxo-1,3-dioxolan-2-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 139406993

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one (CID 97104260) is (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one is O=C1OC[C@@H](COCC(F)(F)C(F)F)O1.
What is the InChIKey of (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is QGDPMSPKJHCTMF-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8F4O4/c8-5(9)7(10,11)3-13-1-4-2-14-6(12)15-4/h4-5H,1-3H2/t4-/m1/s1.
What are the key properties of (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one?
(4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 232.13 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 97104260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).