(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane

C12H22F2O3 — CID 146252405

IUPAC(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane
SMILESCOC[C@H]1OC(C(C)C)C(F)(F)[C@@H]1OC(C)C
InChIInChI=1S/C12H22F2O3/c1-7(2)10-12(13,14)11(16-8(3)4)9(17-10)6-15-5/h7-11H,6H2,1-5H3/t9-,10?,11-/m1/s1
InChIKeyBVSJGZFPWNNKFF-GLYLRITDSA-N
MW252.30 g/mol
LogP2.49
Rot. Bonds5

About (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane

(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane (PubChem CID 146252405) has the molecular formula C12H22F2O3 and a molecular weight of 252.30 g/mol. Its IUPAC name is (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane.

Molecular Properties

Compound Name(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane
PubChem CID146252405
Molecular FormulaC12H22F2O3
Molecular Weight252.30 g/mol
Exact Mass252.15
IUPAC Name(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane
SMILESCOC[C@H]1OC(C(C)C)C(F)(F)[C@@H]1OC(C)C
InChIInChI=1S/C12H22F2O3/c1-7(2)10-12(13,14)11(16-8(3)4)9(17-10)6-15-5/h7-11H,6H2,1-5H3/t9-,10?,11-/m1/s1
InChIKeyBVSJGZFPWNNKFF-GLYLRITDSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane?
The IUPAC name of (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane (CID 146252405) is (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane.
What is the SMILES notation for (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane?
The canonical SMILES for (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane is COC[C@H]1OC(C(C)C)C(F)(F)[C@@H]1OC(C)C.
What is the InChIKey of (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane?
The InChIKey is BVSJGZFPWNNKFF-GLYLRITDSA-N. The full InChI is InChI=1S/C12H22F2O3/c1-7(2)10-12(13,14)11(16-8(3)4)9(17-10)6-15-5/h7-11H,6H2,1-5H3/t9-,10?,11-/m1/s1.
What are the key properties of (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane?
(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane has a molecular weight of 252.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane is sourced from PubChem (CID 146252405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).