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

C13H25FO3 — CID 153278391

IUPAC(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane
SMILESCOC[C@H]1OC(C(C)C)[C@@](C)(F)[C@@H]1OC(C)C
InChIInChI=1S/C13H25FO3/c1-8(2)11-13(5,14)12(16-9(3)4)10(17-11)7-15-6/h8-12H,7H2,1-6H3/t10-,11?,12-,13-/m1/s1
InChIKeyHRJNUGXIJZQNMD-PIBUBRJASA-N
MW248.34 g/mol
LogP2.58
Rot. Bonds5

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

(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane (PubChem CID 153278391) has the molecular formula C13H25FO3 and a molecular weight of 248.34 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane
PubChem CID153278391
Molecular FormulaC13H25FO3
Molecular Weight248.34 g/mol
Exact Mass248.18
IUPAC Name(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane
SMILESCOC[C@H]1OC(C(C)C)[C@@](C)(F)[C@@H]1OC(C)C
InChIInChI=1S/C13H25FO3/c1-8(2)11-13(5,14)12(16-9(3)4)10(17-11)7-15-6/h8-12H,7H2,1-6H3/t10-,11?,12-,13-/m1/s1
InChIKeyHRJNUGXIJZQNMD-PIBUBRJASA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-2-(methoxymethyl)-3,5-dimethyloxolane
CID 59875108
2-[(4-Ethyl-8,8,8-trifluorooctoxy)methyl]oxolane
CID 89576881
(2S,3R,4R,5R)-3-fluoro-4-methoxy-2-methyl-5-(2-methylpropyl)oxolane
CID 117660988
(2S,3S,4R,5R)-3-fluoro-4-methoxy-2-methyl-5-(2-methylpropyl)oxolane
CID 117660989
(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 138719581
(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315603
(4R,5R)-3,3-difluoro-5-(methoxymethyl)-2-propan-2-yl-4-propan-2-yloxyoxolane
CID 146252405
(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-4-methyl-2-(3-methylbutoxymethyl)oxolan-3-ol
CID 155151570
(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane
CID 163433850
(3S)-3-methyl-2-(propoxymethyl)-5-(trifluoromethyl)oxolane
CID 164104919

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane?
The IUPAC name of (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane (CID 153278391) is (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane?
The canonical SMILES for (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane is COC[C@H]1OC(C(C)C)[C@@](C)(F)[C@@H]1OC(C)C.
What is the InChIKey of (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane?
The InChIKey is HRJNUGXIJZQNMD-PIBUBRJASA-N. The full InChI is InChI=1S/C13H25FO3/c1-8(2)11-13(5,14)12(16-9(3)4)10(17-11)7-15-6/h8-12H,7H2,1-6H3/t10-,11?,12-,13-/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane?
(3R,4R,5R)-3-fluoro-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane has a molecular weight of 248.34 g/mol, XLogP of 2.58, 5 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-5-(methoxymethyl)-3-methyl-2-propan-2-yl-4-propan-2-yloxyoxolane is sourced from PubChem (CID 153278391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).