1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid

C6H8F2O2 — CID 84649352

IUPAC1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CC1
InChIInChI=1S/C6H8F2O2/c1-5(7,8)6(2-3-6)4(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyAXZPPINNVGZENV-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.51
Rot. Bonds2

About 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid

1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 84649352) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID84649352
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CC1
InChIInChI=1S/C6H8F2O2/c1-5(7,8)6(2-3-6)4(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyAXZPPINNVGZENV-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid (CID 84649352) is 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid is CC(F)(F)C1(C(=O)O)CC1.
What is the InChIKey of 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is AXZPPINNVGZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-5(7,8)6(2-3-6)4(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid?
1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 150.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84649352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).