1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid

C8H13FO2 — CID 115012546

IUPAC1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC(C)(F)C1
InChIInChI=1S/C8H13FO2/c1-3-8(6(10)11)4-7(2,9)5-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyYNJZOVYRTINODP-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.99
Rot. Bonds2

About 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid

1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid (PubChem CID 115012546) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid
PubChem CID115012546
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC(C)(F)C1
InChIInChI=1S/C8H13FO2/c1-3-8(6(10)11)4-7(2,9)5-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyYNJZOVYRTINODP-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-diethyl-2-methyl-1,3-dioxane-5-carboxylic acid
CID 139962207
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
3,3-diethyl-1-methylsulfanylcyclobutane-1-carboxylic acid
CID 65130394
3-hydroxy-3-methyl-1-propylcyclobutane-1-carboxylic acid
CID 115014004
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 118062622
3-ethyloxolane-3-carboxylic acid
CID 62740785
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
CID 155943483
1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
CID 21319578
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887
3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid (CID 115012546) is 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid is CCC1(C(=O)O)CC(C)(F)C1.
What is the InChIKey of 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is YNJZOVYRTINODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-3-8(6(10)11)4-7(2,9)5-8/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid?
1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 160.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 115012546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).