(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

C14H27FO3 — CID 153278394

IUPAC(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1OC(C(C)C)[C@@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C14H27FO3/c1-8(2)13-12(15)14(17-10(5)6)11(18-13)7-16-9(3)4/h8-14H,7H2,1-6H3/t11-,12-,13?,14-/m1/s1
InChIKeyPQLPDASDIDYEHR-MVWAYNQESA-N
MW262.36 g/mol
LogP2.97
Rot. Bonds6

About (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (PubChem CID 153278394) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
PubChem CID153278394
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1OC(C(C)C)[C@@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C14H27FO3/c1-8(2)13-12(15)14(17-10(5)6)11(18-13)7-16-9(3)4/h8-14H,7H2,1-6H3/t11-,12-,13?,14-/m1/s1
InChIKeyPQLPDASDIDYEHR-MVWAYNQESA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (CID 153278394) is (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is CC(C)OC[C@H]1OC(C(C)C)[C@@H](F)[C@@H]1OC(C)C.
What is the InChIKey of (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The InChIKey is PQLPDASDIDYEHR-MVWAYNQESA-N. The full InChI is InChI=1S/C14H27FO3/c1-8(2)13-12(15)14(17-10(5)6)11(18-13)7-16-9(3)4/h8-14H,7H2,1-6H3/t11-,12-,13?,14-/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane has a molecular weight of 262.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 153278394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).