[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol

C11H14F2O2 — CID 166823959

IUPAC[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol
SMILESC/C1=C\C=C(F)/C(F)=C/OCC[C@H]1CO
InChIInChI=1S/C11H14F2O2/c1-8-2-3-10(12)11(13)7-15-5-4-9(8)6-14/h2-3,7,9,14H,4-6H2,1H3/b8-2+,10-3+,11-7-/t9-/m0/s1
InChIKeyYYZFNJVHPBOVNK-BHNJOOJCSA-N
MW216.23 g/mol
LogP2.63
Rot. Bonds1

About [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol

[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol (PubChem CID 166823959) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol
PubChem CID166823959
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol
SMILESC/C1=C\C=C(F)/C(F)=C/OCC[C@H]1CO
InChIInChI=1S/C11H14F2O2/c1-8-2-3-10(12)11(13)7-15-5-4-9(8)6-14/h2-3,7,9,14H,4-6H2,1H3/b8-2+,10-3+,11-7-/t9-/m0/s1
InChIKeyYYZFNJVHPBOVNK-BHNJOOJCSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol?
The IUPAC name of [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol (CID 166823959) is [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol.
What is the SMILES notation for [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol?
The canonical SMILES for [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol is C/C1=C\C=C(F)/C(F)=C/OCC[C@H]1CO.
What is the InChIKey of [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol?
The InChIKey is YYZFNJVHPBOVNK-BHNJOOJCSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-8-2-3-10(12)11(13)7-15-5-4-9(8)6-14/h2-3,7,9,14H,4-6H2,1H3/b8-2+,10-3+,11-7-/t9-/m0/s1.
What are the key properties of [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol?
[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol has a molecular weight of 216.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol is sourced from PubChem (CID 166823959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).