[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene

C14H19FO — CID 166442108

IUPAC[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene
SMILESCCCC(OC)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C14H19FO/c1-4-8-13(16-3)14(15)11(2)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8H2,1-3H3/b14-11-
InChIKeyYQLCHCBNFFXHGF-KAMYIIQDSA-N
MW222.30 g/mol
LogP4.20
Rot. Bonds5

About [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene

[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene (PubChem CID 166442108) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene
PubChem CID166442108
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene
SMILESCCCC(OC)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C14H19FO/c1-4-8-13(16-3)14(15)11(2)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8H2,1-3H3/b14-11-
InChIKeyYQLCHCBNFFXHGF-KAMYIIQDSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
(1-Methoxyethyl)benzene
CID 19913
Benzene, [2-[(3-methyl-2-buten-1-yl)oxy]ethyl]-
CID 162597
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
(3-Methoxy-1-propenyl)benzene
CID 5462920
(1-Methoxybut-3-EN-1-YL)benzene
CID 10986565
(2-Fluoro-1-methoxyethyl)benzene
CID 12700785
1-Fluoro-4-(1-methoxyethyl)benzene
CID 15049496
(2,2,2-Trifluoro-1-methoxyethyl)benzene
CID 15275027
{1-[(Propan-2-yl)oxy]ethyl}benzene
CID 15584172
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene?
The IUPAC name of [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene (CID 166442108) is [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene.
What is the SMILES notation for [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene?
The canonical SMILES for [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene is CCCC(OC)/C(F)=C(\C)c1ccccc1.
What is the InChIKey of [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene?
The InChIKey is YQLCHCBNFFXHGF-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H19FO/c1-4-8-13(16-3)14(15)11(2)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8H2,1-3H3/b14-11-.
What are the key properties of [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene?
[(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene has a molecular weight of 222.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-4-methoxyhept-2-en-2-yl]benzene is sourced from PubChem (CID 166442108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).