ethane;2-fluoro-6-propoxybenzoic acid

C12H17FO3 — CID 142472968

IUPACethane;2-fluoro-6-propoxybenzoic acid
SMILESCC.CCCOc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H11FO3.C2H6/c1-2-6-14-8-5-3-4-7(11)9(8)10(12)13;1-2/h3-5H,2,6H2,1H3,(H,12,13);1-2H3
InChIKeyYTTFYFAGNAZORX-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.34
Rot. Bonds4

About ethane;2-fluoro-6-propoxybenzoic acid

ethane;2-fluoro-6-propoxybenzoic acid (PubChem CID 142472968) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is ethane;2-fluoro-6-propoxybenzoic acid.

Molecular Properties

Compound Nameethane;2-fluoro-6-propoxybenzoic acid
PubChem CID142472968
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Nameethane;2-fluoro-6-propoxybenzoic acid
SMILESCC.CCCOc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H11FO3.C2H6/c1-2-6-14-8-5-3-4-7(11)9(8)10(12)13;1-2/h3-5H,2,6H2,1H3,(H,12,13);1-2H3
InChIKeyYTTFYFAGNAZORX-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(2-methylsulfanylethoxy)benzoic acid
CID 107013890
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
2-but-3-enoxy-6-fluorobenzoic acid
CID 79511653
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
2-fluoro-6-[3-[methyl(propan-2-yl)amino]propoxy]benzoic acid
CID 170368192
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2,6-dipropoxybenzoyl iodide
CID 19912030
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
CID 115800741
2-[2-(ethylcarbamoylamino)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014145
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-6-propoxybenzoic acid?
The IUPAC name of ethane;2-fluoro-6-propoxybenzoic acid (CID 142472968) is ethane;2-fluoro-6-propoxybenzoic acid.
What is the SMILES notation for ethane;2-fluoro-6-propoxybenzoic acid?
The canonical SMILES for ethane;2-fluoro-6-propoxybenzoic acid is CC.CCCOc1cccc(F)c1C(=O)O.
What is the InChIKey of ethane;2-fluoro-6-propoxybenzoic acid?
The InChIKey is YTTFYFAGNAZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3.C2H6/c1-2-6-14-8-5-3-4-7(11)9(8)10(12)13;1-2/h3-5H,2,6H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-fluoro-6-propoxybenzoic acid?
ethane;2-fluoro-6-propoxybenzoic acid has a molecular weight of 228.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-6-propoxybenzoic acid is sourced from PubChem (CID 142472968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).