(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane

C10H19FO — CID 58241376

IUPAC(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
SMILESCCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19FO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeySWRHZPLCRQMECN-BLHFLBKCSA-N
MW174.26 g/mol
LogP3.00
Rot. Bonds1

About (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane

(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane (PubChem CID 58241376) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
PubChem CID58241376
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
SMILESCCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19FO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeySWRHZPLCRQMECN-BLHFLBKCSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Thromboxane
CID 114873
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
Difluorothromboxane
CID 129674200
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
2,4,6-Trimethyltetrahydropyrane
CID 13776990
CID 20849211
CID 20849211

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane?
The IUPAC name of (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane (CID 58241376) is (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane.
What is the SMILES notation for (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane?
The canonical SMILES for (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane is CCC1OC(F)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane?
The InChIKey is SWRHZPLCRQMECN-BLHFLBKCSA-N. The full InChI is InChI=1S/C10H19FO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1.
What are the key properties of (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane?
(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane has a molecular weight of 174.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane is sourced from PubChem (CID 58241376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).