3,3-difluoro-1-methylcyclopentane-1-carboxylic acid

C7H10F2O2 — CID 84764728

IUPAC3,3-difluoro-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-6(5(10)11)2-3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKeyRQOUOWUWKACQCO-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.90
Rot. Bonds1

About 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid

3,3-difluoro-1-methylcyclopentane-1-carboxylic acid (PubChem CID 84764728) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-methylcyclopentane-1-carboxylic acid
PubChem CID84764728
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3,3-difluoro-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-6(5(10)11)2-3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKeyRQOUOWUWKACQCO-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid (CID 84764728) is 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is RQOUOWUWKACQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-6(5(10)11)2-3-7(8,9)4-6/h2-4H2,1H3,(H,10,11).
What are the key properties of 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid?
3,3-difluoro-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 84764728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).