1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid

C8H13FO2 — CID 83815694

IUPAC1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
SMILESCC(C)(F)C1(C(=O)O)CCC1
InChIInChI=1S/C8H13FO2/c1-7(2,9)8(6(10)11)4-3-5-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyPSROALDDEJNOHF-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid

1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 83815694) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
PubChem CID83815694
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
SMILESCC(C)(F)C1(C(=O)O)CCC1
InChIInChI=1S/C8H13FO2/c1-7(2,9)8(6(10)11)4-3-5-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyPSROALDDEJNOHF-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid (CID 83815694) is 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid is CC(C)(F)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is PSROALDDEJNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-7(2,9)8(6(10)11)4-3-5-8/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid?
1-(2-fluoropropan-2-yl)cyclobutane-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-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83815694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).