(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane

C10H19FO — CID 163544826

IUPAC(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane
SMILESCC[C@@H](C)C[C@@]1(C)C[C@H](F)CO1
InChIInChI=1S/C10H19FO/c1-4-8(2)5-10(3)6-9(11)7-12-10/h8-9H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyFEDQMUIIECXQMR-UTLUCORTSA-N
MW174.26 g/mol
LogP2.94
Rot. Bonds3

About (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane

(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane (PubChem CID 163544826) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane
PubChem CID163544826
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane
SMILESCC[C@@H](C)C[C@@]1(C)C[C@H](F)CO1
InChIInChI=1S/C10H19FO/c1-4-8(2)5-10(3)6-9(11)7-12-10/h8-9H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyFEDQMUIIECXQMR-UTLUCORTSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxaspiro(4.7)dodecane
CID 112802
Tetradecahydrocyclododeca[b]furan
CID 14687820
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
3-Octyloxolane
CID 85711919
3-Fluoro-1-oxaspiro[4.5]decane
CID 12038086
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
2-Isoamyltetrahydrofuran
CID 12508223
2,2-Dimethyl-5-pentyltetrahydrofuran
CID 24973903
a-(2-Methylbutyl)tetrahydrofuran
CID 53654831
Tetrahydro-2,3-dimethyl-5-propylfuran
CID 59089354
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane?
The IUPAC name of (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane (CID 163544826) is (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane.
What is the SMILES notation for (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane?
The canonical SMILES for (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane is CC[C@@H](C)C[C@@]1(C)C[C@H](F)CO1.
What is the InChIKey of (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane?
The InChIKey is FEDQMUIIECXQMR-UTLUCORTSA-N. The full InChI is InChI=1S/C10H19FO/c1-4-8(2)5-10(3)6-9(11)7-12-10/h8-9H,4-7H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane?
(2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane has a molecular weight of 174.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-methyl-2-[(2R)-2-methylbutyl]oxolane is sourced from PubChem (CID 163544826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).