(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol

C10H21FO4 — CID 58202031

IUPAC(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol
SMILESCC(C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CF
InChIInChI=1S/C10H21FO4/c1-10(2,3)4-6(12)8(14)9(15)7(13)5-11/h6-9,12-15H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyJACIUCNCKSUCKR-JQCXWYLXSA-N
MW224.27 g/mol
LogP-0.16
Rot. Bonds5

About (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol

(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol (PubChem CID 58202031) has the molecular formula C10H21FO4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol
PubChem CID58202031
Molecular FormulaC10H21FO4
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol
SMILESCC(C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CF
InChIInChI=1S/C10H21FO4/c1-10(2,3)4-6(12)8(14)9(15)7(13)5-11/h6-9,12-15H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyJACIUCNCKSUCKR-JQCXWYLXSA-N
XLogP-0.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol (CID 58202031) is (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol is CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CF.
What is the InChIKey of (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol?
The InChIKey is JACIUCNCKSUCKR-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H21FO4/c1-10(2,3)4-6(12)8(14)9(15)7(13)5-11/h6-9,12-15H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol?
(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol has a molecular weight of 224.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol is sourced from PubChem (CID 58202031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).