[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine

C10H12FNO — CID 166532278

IUPAC[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine
SMILESC=C1/C=C(F)/C=C\O/C(CN)=C\1C
InChIInChI=1S/C10H12FNO/c1-7-5-9(11)3-4-13-10(6-12)8(7)2/h3-5H,1,6,12H2,2H3/b4-3-,9-5+,10-8-
InChIKeyJNWONVIWVGJHQJ-MRYQPYKBSA-N
MW181.21 g/mol
LogP2.17
Rot. Bonds1

About [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine

[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine (PubChem CID 166532278) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine.

Molecular Properties

Compound Name[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine
PubChem CID166532278
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine
SMILESC=C1/C=C(F)/C=C\O/C(CN)=C\1C
InChIInChI=1S/C10H12FNO/c1-7-5-9(11)3-4-13-10(6-12)8(7)2/h3-5H,1,6,12H2,2H3/b4-3-,9-5+,10-8-
InChIKeyJNWONVIWVGJHQJ-MRYQPYKBSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine?
The IUPAC name of [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine (CID 166532278) is [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine.
What is the SMILES notation for [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine?
The canonical SMILES for [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine is C=C1/C=C(F)/C=C\O/C(CN)=C\1C.
What is the InChIKey of [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine?
The InChIKey is JNWONVIWVGJHQJ-MRYQPYKBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-5-9(11)3-4-13-10(6-12)8(7)2/h3-5H,1,6,12H2,2H3/b4-3-,9-5+,10-8-.
What are the key properties of [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine?
[(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine has a molecular weight of 181.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5E,7Z)-6-fluoro-3-methyl-4-methylideneoxocin-2-yl]methanamine is sourced from PubChem (CID 166532278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).