2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C11H21FO5 — CID 166756192

IUPAC2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCC1OC(CO)C(O)C(O)C1(O)CF
InChIInChI=1S/C11H21FO5/c1-2-3-4-8-11(16,6-12)10(15)9(14)7(5-13)17-8/h7-10,13-16H,2-6H2,1H3
InChIKeyFDNCMFMVTGBWOR-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.64
Rot. Bonds5

About 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol

2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 166756192) has the molecular formula C11H21FO5 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID166756192
Molecular FormulaC11H21FO5
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCC1OC(CO)C(O)C(O)C1(O)CF
InChIInChI=1S/C11H21FO5/c1-2-3-4-8-11(16,6-12)10(15)9(14)7(5-13)17-8/h7-10,13-16H,2-6H2,1H3
InChIKeyFDNCMFMVTGBWOR-UHFFFAOYSA-N
XLogP-0.64
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol
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3-beta-D-glucopyranosyl-D-glucitol
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3-Xylopyranosyl-glucopyranosyl fluoride
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2,2,6-Trimethyl-6-(2-hydroxy-1-methoxyethyl)tetrahydropyran
CID 15409472
Wfwylfjnudxrqx-cydgbpfrsa-
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4-beta-d-Galactopyranosyl-d-glucitol
CID 22839085
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[1,2,3-trihydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]oxane-3,4,5-triol
CID 53773714
2-(Hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
CID 58743772

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 166756192) is 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCC1OC(CO)C(O)C(O)C1(O)CF.
What is the InChIKey of 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is FDNCMFMVTGBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO5/c1-2-3-4-8-11(16,6-12)10(15)9(14)7(5-13)17-8/h7-10,13-16H,2-6H2,1H3.
What are the key properties of 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 252.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(fluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 166756192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).