(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane

C15H29FO3 — CID 153278392

IUPAC(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane
SMILESCC(C)OC(C)[C@H]1OC(C(C)C)[C@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C15H29FO3/c1-8(2)13-12(16)15(18-10(5)6)14(19-13)11(7)17-9(3)4/h8-15H,1-7H3/t11?,12-,13?,14+,15-/m0/s1
InChIKeyABQAKXSVBPYNLD-OGONIBCJSA-N
MW276.39 g/mol
LogP3.36
Rot. Bonds6

About (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane

(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane (PubChem CID 153278392) has the molecular formula C15H29FO3 and a molecular weight of 276.39 g/mol. Its IUPAC name is (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane.

Molecular Properties

Compound Name(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane
PubChem CID153278392
Molecular FormulaC15H29FO3
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane
SMILESCC(C)OC(C)[C@H]1OC(C(C)C)[C@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C15H29FO3/c1-8(2)13-12(16)15(18-10(5)6)14(19-13)11(7)17-9(3)4/h8-15H,1-7H3/t11?,12-,13?,14+,15-/m0/s1
InChIKeyABQAKXSVBPYNLD-OGONIBCJSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane?
The IUPAC name of (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane (CID 153278392) is (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane.
What is the SMILES notation for (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane?
The canonical SMILES for (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane is CC(C)OC(C)[C@H]1OC(C(C)C)[C@H](F)[C@@H]1OC(C)C.
What is the InChIKey of (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane?
The InChIKey is ABQAKXSVBPYNLD-OGONIBCJSA-N. The full InChI is InChI=1S/C15H29FO3/c1-8(2)13-12(16)15(18-10(5)6)14(19-13)11(7)17-9(3)4/h8-15H,1-7H3/t11?,12-,13?,14+,15-/m0/s1.
What are the key properties of (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane?
(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane has a molecular weight of 276.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane is sourced from PubChem (CID 153278392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).