[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene

C13H17FO — CID 166444852

IUPAC[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene
SMILESCCCC(OC)/C(F)=C/c1ccccc1
InChIInChI=1S/C13H17FO/c1-3-7-13(15-2)12(14)10-11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/b12-10-
InChIKeyYNZDUSYIMUCJSG-BENRWUELSA-N
MW208.28 g/mol
LogP3.81
Rot. Bonds5

About [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene

[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene (PubChem CID 166444852) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene
PubChem CID166444852
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene
SMILESCCCC(OC)/C(F)=C/c1ccccc1
InChIInChI=1S/C13H17FO/c1-3-7-13(15-2)12(14)10-11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/b12-10-
InChIKeyYNZDUSYIMUCJSG-BENRWUELSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-Methoxy-1-propenyl)benzene
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Dicinnamyl ether
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O-ethyl (E)-3-phenylprop-2-enethioate
CID 5387444
(E)-2-methyl-1-phenylpent-1-en-3-ol
CID 13465033
Propyl Thionocinnamate
CID 20518035
(2-Fluoro-1-methoxyethyl)benzene
CID 12700785
1-Fluoro-4-(1-methoxyethyl)benzene
CID 15049496
(2,2,2-Trifluoro-1-methoxyethyl)benzene
CID 15275027
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
1-Fluoro-2-[(1-methylethoxy)methyl]benzene
CID 10374819
(4-Fluorophenyl) methanol, isopropyl ether
CID 16086842

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene?
The IUPAC name of [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene (CID 166444852) is [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene?
The canonical SMILES for [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene is CCCC(OC)/C(F)=C/c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene?
The InChIKey is YNZDUSYIMUCJSG-BENRWUELSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-7-13(15-2)12(14)10-11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/b12-10-.
What are the key properties of [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene?
[(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene has a molecular weight of 208.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-methoxyhex-1-enyl]benzene is sourced from PubChem (CID 166444852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).