1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone

C15H19FO2 — CID 107007278

IUPAC1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
SMILESC=CCCCCCOc1ccc(F)cc1C(C)=O
InChIInChI=1S/C15H19FO2/c1-3-4-5-6-7-10-18-15-9-8-13(16)11-14(15)12(2)17/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyIOOOHRZBGQTYTL-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.15
Rot. Bonds8

About 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone

1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone (PubChem CID 107007278) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
PubChem CID107007278
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
SMILESC=CCCCCCOc1ccc(F)cc1C(C)=O
InChIInChI=1S/C15H19FO2/c1-3-4-5-6-7-10-18-15-9-8-13(16)11-14(15)12(2)17/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyIOOOHRZBGQTYTL-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-(2,3-dimethyl-4-oct-7-enoxyphenyl)ethanone;methane
CID 160931073
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
2-hept-6-enoxy-5-methylbenzoic acid
CID 107005947
2-bromo-4-fluoro-1-hex-5-enoxybenzene
CID 121012667
potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
CID 107007667
4-(2-acetyl-4-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 79035303
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-dec-9-enoxybenzoate
CID 22354189
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone (CID 107007278) is 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone is C=CCCCCCOc1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone?
The InChIKey is IOOOHRZBGQTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-4-5-6-7-10-18-15-9-8-13(16)11-14(15)12(2)17/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone?
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone has a molecular weight of 250.31 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone is sourced from PubChem (CID 107007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).