[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol

C8H15FO2 — CID 58060776

IUPAC[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol
SMILESC[C@H]1[C@@H](F)[C@@H](C)CO[C@@H]1CO
InChIInChI=1S/C8H15FO2/c1-5-4-11-7(3-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKeyOXBPAWKYCAYUCN-OSMVPFSASA-N
MW162.20 g/mol
LogP0.99
Rot. Bonds1

About [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol

[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol (PubChem CID 58060776) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol
PubChem CID58060776
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol
SMILESC[C@H]1[C@@H](F)[C@@H](C)CO[C@@H]1CO
InChIInChI=1S/C8H15FO2/c1-5-4-11-7(3-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKeyOXBPAWKYCAYUCN-OSMVPFSASA-N
XLogP0.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol (CID 58060776) is [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol is C[C@H]1[C@@H](F)[C@@H](C)CO[C@@H]1CO.
What is the InChIKey of [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol?
The InChIKey is OXBPAWKYCAYUCN-OSMVPFSASA-N. The full InChI is InChI=1S/C8H15FO2/c1-5-4-11-7(3-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol?
[(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol has a molecular weight of 162.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-4-fluoro-3,5-dimethyloxan-2-yl]methanol is sourced from PubChem (CID 58060776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).