(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane

C17H33FO3 — CID 177125381

IUPAC(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OC[C@H]1O[C@@H](C(C)(C)C)[C@H](F)C1OC(C)(C)C
InChIInChI=1S/C17H33FO3/c1-15(2,3)14-12(18)13(21-17(7,8)9)11(20-14)10-19-16(4,5)6/h11-14H,10H2,1-9H3/t11-,12-,13?,14-/m1/s1
InChIKeyNVSCESHCGIBMSW-MVWAYNQESA-N
MW304.45 g/mol
LogP4.14
Rot. Bonds3

About (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane

(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane (PubChem CID 177125381) has the molecular formula C17H33FO3 and a molecular weight of 304.45 g/mol. Its IUPAC name is (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
PubChem CID177125381
Molecular FormulaC17H33FO3
Molecular Weight304.45 g/mol
Exact Mass304.24
IUPAC Name(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
SMILESCC(C)(C)OC[C@H]1O[C@@H](C(C)(C)C)[C@H](F)C1OC(C)(C)C
InChIInChI=1S/C17H33FO3/c1-15(2,3)14-12(18)13(21-17(7,8)9)11(20-14)10-19-16(4,5)6/h11-14H,10H2,1-9H3/t11-,12-,13?,14-/m1/s1
InChIKeyNVSCESHCGIBMSW-MVWAYNQESA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3aR,6aS)-6-fluoro-6-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315396
(3R,3aR,6aS)-6-tert-butyl-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315720
(3R,3aR,6aS)-6-tert-butyl-6-fluoro-3-(2-methylpentan-2-yloxy)-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315851
(3R,3aR,6aS)-6-(2,2-dimethylpropyl)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 141687795
(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane
CID 153278391
(3S,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(1-propan-2-yloxyethyl)oxolane
CID 153278392
(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 153278394
5-Tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 155619005
5-Tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 155619011
(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane
CID 157292206
3-Fluoro-2-(2-methylpentan-2-yl)-5-(2-methylpentan-2-yloxymethyl)-4-propan-2-yloxyoxolane
CID 167283417
(2S,3R,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane
CID 167387595

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The IUPAC name of (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane (CID 177125381) is (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The canonical SMILES for (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane is CC(C)(C)OC[C@H]1O[C@@H](C(C)(C)C)[C@H](F)C1OC(C)(C)C.
What is the InChIKey of (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
The InChIKey is NVSCESHCGIBMSW-MVWAYNQESA-N. The full InChI is InChI=1S/C17H33FO3/c1-15(2,3)14-12(18)13(21-17(7,8)9)11(20-14)10-19-16(4,5)6/h11-14H,10H2,1-9H3/t11-,12-,13?,14-/m1/s1.
What are the key properties of (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane?
(2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane has a molecular weight of 304.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-tert-butyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 177125381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).