10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate

C21H31FO3 — CID 59638882

IUPAC10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate
SMILESCC=Cc1ccc(OCCCCCCCCCCOC(C)=O)c(F)c1
InChIInChI=1S/C21H31FO3/c1-3-12-19-13-14-21(20(22)17-19)25-16-11-9-7-5-4-6-8-10-15-24-18(2)23/h3,12-14,17H,4-11,15-16H2,1-2H3
InChIKeyJYAGZGFQDGQSCK-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.92
Rot. Bonds13

About 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate

10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate (PubChem CID 59638882) has the molecular formula C21H31FO3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate.

Molecular Properties

Compound Name10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate
PubChem CID59638882
Molecular FormulaC21H31FO3
Molecular Weight350.47 g/mol
Exact Mass350.23
IUPAC Name10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate
SMILESCC=Cc1ccc(OCCCCCCCCCCOC(C)=O)c(F)c1
InChIInChI=1S/C21H31FO3/c1-3-12-19-13-14-21(20(22)17-19)25-16-11-9-7-5-4-6-8-10-15-24-18(2)23/h3,12-14,17H,4-11,15-16H2,1-2H3
InChIKeyJYAGZGFQDGQSCK-UHFFFAOYSA-N
XLogP5.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
1-methoxy-4-[(E)-prop-1-enyl]benzene;pentyl acetate
CID 67944883
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
(E)-3-[4-(4-cyanobutoxy)-3-fluorophenyl]prop-2-enoic acid
CID 107692204
[3-[4-[(E)-2-(3-fluoro-4-tridecoxyphenyl)ethenyl]benzoyl]oxyphenyl] 4-[(E)-2-(3-fluoro-4-tridecoxyphenyl)ethenyl]benzoate
CID 101351033
[3-[4-[(E)-2-(3-fluoro-4-octoxyphenyl)ethenyl]benzoyl]oxyphenyl] 4-[(E)-2-(3-fluoro-4-octoxyphenyl)ethenyl]benzoate
CID 101351027
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
(E)-3-[4-(2-ethylsulfanylethoxy)-3-fluorophenyl]prop-2-enoic acid
CID 107692273
(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
CID 24828740
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081

Frequently Asked Questions

What is the IUPAC name of 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate?
The IUPAC name of 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate (CID 59638882) is 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate.
What is the SMILES notation for 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate?
The canonical SMILES for 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate is CC=Cc1ccc(OCCCCCCCCCCOC(C)=O)c(F)c1.
What is the InChIKey of 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate?
The InChIKey is JYAGZGFQDGQSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FO3/c1-3-12-19-13-14-21(20(22)17-19)25-16-11-9-7-5-4-6-8-10-15-24-18(2)23/h3,12-14,17H,4-11,15-16H2,1-2H3.
What are the key properties of 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate?
10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate has a molecular weight of 350.47 g/mol, XLogP of 5.92, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate is sourced from PubChem (CID 59638882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).