1-fluoro-3-hex-3-enoxybenzene

C12H15FO — CID 91033540

IUPAC1-fluoro-3-hex-3-enoxybenzene
SMILESCCC=CCCOc1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyNSSXSPKJEWZPEI-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.56
Rot. Bonds5

About 1-fluoro-3-hex-3-enoxybenzene

1-fluoro-3-hex-3-enoxybenzene (PubChem CID 91033540) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-fluoro-3-hex-3-enoxybenzene.

Molecular Properties

Compound Name1-fluoro-3-hex-3-enoxybenzene
PubChem CID91033540
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-fluoro-3-hex-3-enoxybenzene
SMILESCCC=CCCOc1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyNSSXSPKJEWZPEI-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enoxy-3-fluorobenzene;methanol
CID 162380049
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
6-(3-fluorophenoxy)-N-methylhexan-3-amine
CID 106800734
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hex-3-enoxybenzene?
The IUPAC name of 1-fluoro-3-hex-3-enoxybenzene (CID 91033540) is 1-fluoro-3-hex-3-enoxybenzene.
What is the SMILES notation for 1-fluoro-3-hex-3-enoxybenzene?
The canonical SMILES for 1-fluoro-3-hex-3-enoxybenzene is CCC=CCCOc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-hex-3-enoxybenzene?
The InChIKey is NSSXSPKJEWZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h3-4,6-8,10H,2,5,9H2,1H3.
What are the key properties of 1-fluoro-3-hex-3-enoxybenzene?
1-fluoro-3-hex-3-enoxybenzene has a molecular weight of 194.25 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hex-3-enoxybenzene is sourced from PubChem (CID 91033540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).