(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane

C10H19FO2 — CID 58241382

IUPAC(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
SMILESCO[C@@H]1OC(CF)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H19FO2/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10+/m0/s1
InChIKeyPITFTGICRPIYHX-HAEBQSFCSA-N
MW190.26 g/mol
LogP2.24
Rot. Bonds2

About (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane

(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane (PubChem CID 58241382) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
PubChem CID58241382
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
SMILESCO[C@@H]1OC(CF)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H19FO2/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10+/m0/s1
InChIKeyPITFTGICRPIYHX-HAEBQSFCSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256
(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
CID 126608883
[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
CID 59036539
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 14018061
3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
CID 22948046
2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
CID 91273987
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
CID 139912968

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane?
The IUPAC name of (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane (CID 58241382) is (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane.
What is the SMILES notation for (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane?
The canonical SMILES for (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane is CO[C@@H]1OC(CF)[C@H](C)[C@H](C)C1C.
What is the InChIKey of (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane?
The InChIKey is PITFTGICRPIYHX-HAEBQSFCSA-N. The full InChI is InChI=1S/C10H19FO2/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10+/m0/s1.
What are the key properties of (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane?
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane has a molecular weight of 190.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane is sourced from PubChem (CID 58241382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).