(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine

C12H19FO — CID 89247476

IUPAC(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine
SMILESC=C1CC(C)/C(F)=C\CCC(C)CO1
InChIInChI=1S/C12H19FO/c1-9-5-4-6-12(13)10(2)7-11(3)14-8-9/h6,9-10H,3-5,7-8H2,1-2H3/b12-6+
InChIKeyZXFYLTBMZWIXDA-WUXMJOGZSA-N
MW198.28 g/mol
LogP3.83
Rot. Bonds

About (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine

(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine (PubChem CID 89247476) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine.

Molecular Properties

Compound Name(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine
PubChem CID89247476
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine
SMILESC=C1CC(C)/C(F)=C\CCC(C)CO1
InChIInChI=1S/C12H19FO/c1-9-5-4-6-12(13)10(2)7-11(3)14-8-9/h6,9-10H,3-5,7-8H2,1-2H3/b12-6+
InChIKeyZXFYLTBMZWIXDA-WUXMJOGZSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine?
The IUPAC name of (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine (CID 89247476) is (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine.
What is the SMILES notation for (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine?
The canonical SMILES for (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine is C=C1CC(C)/C(F)=C\CCC(C)CO1.
What is the InChIKey of (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine?
The InChIKey is ZXFYLTBMZWIXDA-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H19FO/c1-9-5-4-6-12(13)10(2)7-11(3)14-8-9/h6,9-10H,3-5,7-8H2,1-2H3/b12-6+.
What are the key properties of (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine?
(6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine has a molecular weight of 198.28 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-fluoro-3,8-dimethyl-10-methylidene-2,3,4,5,8,9-hexahydrooxecine is sourced from PubChem (CID 89247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).