(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol

C10H14F2O2 — CID 125118300

IUPAC(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=C(F)[C@@H]1CC(C)=C(F)[C@@H](O)O1
InChIInChI=1S/C10H14F2O2/c1-5(2)8(11)7-4-6(3)9(12)10(13)14-7/h7,10,13H,4H2,1-3H3/t7-,10-/m0/s1
InChIKeyAGNVOCRJMUANDV-XVKPBYJWSA-N
MW204.22 g/mol
LogP2.60
Rot. Bonds1

About (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol

(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 125118300) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID125118300
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=C(F)[C@@H]1CC(C)=C(F)[C@@H](O)O1
InChIInChI=1S/C10H14F2O2/c1-5(2)8(11)7-4-6(3)9(12)10(13)14-7/h7,10,13H,4H2,1-3H3/t7-,10-/m0/s1
InChIKeyAGNVOCRJMUANDV-XVKPBYJWSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
CID 11062800
5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 121000211
(2R,6R)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118297
(2S,6R)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118298
(2R,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 125118299
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 141867867
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 100930172

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol (CID 125118300) is (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol is CC(C)=C(F)[C@@H]1CC(C)=C(F)[C@@H](O)O1.
What is the InChIKey of (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is AGNVOCRJMUANDV-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-5(2)8(11)7-4-6(3)9(12)10(13)14-7/h7,10,13H,4H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol?
(2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 204.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 125118300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).