5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid

C15H24F2O4 — CID 59148032

IUPAC5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid
SMILESC=CCCC(F)(F)CCC(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H24F2O4/c1-5-6-8-15(16,17)9-7-11(13(19)20)10-12(18)21-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,19,20)
InChIKeyDUONAMFKYUWWMV-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.80
Rot. Bonds9

About 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid

5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid (PubChem CID 59148032) has the molecular formula C15H24F2O4 and a molecular weight of 306.35 g/mol. Its IUPAC name is 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid.

Molecular Properties

Compound Name5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid
PubChem CID59148032
Molecular FormulaC15H24F2O4
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid
SMILESC=CCCC(F)(F)CCC(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H24F2O4/c1-5-6-8-15(16,17)9-7-11(13(19)20)10-12(18)21-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,19,20)
InChIKeyDUONAMFKYUWWMV-UHFFFAOYSA-N
XLogP3.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oct-7-enylsuccinic acid
CID 93867
6,6,6-Trifluoro-2-(2-hex-5-enoxy-2-oxoethyl)hexanoic acid
CID 58128341
4-O-tert-butyl 1-O-methyl 2-(3-fluorohept-6-enyl)butanedioate
CID 59148038
4-O-tert-butyl 1-O-methyl 2-(3,3-difluorohept-6-enyl)butanedioate
CID 59148041
5-Fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid
CID 59148042
(2R,3S)-3-(tert-butoxycarbonyl)-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90079889
3-Tert-butoxycarbonyl-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90079965
(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90080059
(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90080218
(2R,3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90081074
5-Methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(3,3,3-trifluoropropyl)hex-5-enoic acid
CID 90081905
(2R,3R)-2-(3-fluoropropyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 118287095

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid?
The IUPAC name of 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid (CID 59148032) is 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid.
What is the SMILES notation for 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid?
The canonical SMILES for 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid is C=CCCC(F)(F)CCC(CC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid?
The InChIKey is DUONAMFKYUWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O4/c1-5-6-8-15(16,17)9-7-11(13(19)20)10-12(18)21-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,19,20).
What are the key properties of 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid?
5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid has a molecular weight of 306.35 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid is sourced from PubChem (CID 59148032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).