1-fluoro-3-pent-4-enoxybenzene

C11H13FO — CID 64764365

IUPAC1-fluoro-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h2,5-7,9H,1,3-4,8H2
InChIKeyKNDFWZLZFHDFQS-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.17
Rot. Bonds5

About 1-fluoro-3-pent-4-enoxybenzene

1-fluoro-3-pent-4-enoxybenzene (PubChem CID 64764365) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-3-pent-4-enoxybenzene.

Molecular Properties

Compound Name1-fluoro-3-pent-4-enoxybenzene
PubChem CID64764365
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc(F)c1
InChIInChI=1S/C11H13FO/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h2,5-7,9H,1,3-4,8H2
InChIKeyKNDFWZLZFHDFQS-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.17
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-methoxy-3-pent-4-enoxybenzene
CID 10750277
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1-(bromomethyl)-3-pent-4-enoxybenzene
CID 86076126
1-bromo-3-hex-5-enoxybenzene
CID 146004224
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-nitro-3-pent-4-enoxybenzene
CID 11183362
1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
CID 141301748
3-(3-pent-4-enoxyphenyl)thiophene
CID 19086978
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pent-4-enoxybenzene?
The IUPAC name of 1-fluoro-3-pent-4-enoxybenzene (CID 64764365) is 1-fluoro-3-pent-4-enoxybenzene.
What is the SMILES notation for 1-fluoro-3-pent-4-enoxybenzene?
The canonical SMILES for 1-fluoro-3-pent-4-enoxybenzene is C=CCCCOc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-pent-4-enoxybenzene?
The InChIKey is KNDFWZLZFHDFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h2,5-7,9H,1,3-4,8H2.
What are the key properties of 1-fluoro-3-pent-4-enoxybenzene?
1-fluoro-3-pent-4-enoxybenzene has a molecular weight of 180.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pent-4-enoxybenzene is sourced from PubChem (CID 64764365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).