3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C10H12F4O2 — CID 12783448

IUPAC3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C=C(C(F)F)C(F)F)C1C(=O)O
InChIInChI=1S/C10H12F4O2/c1-10(2)5(6(10)9(15)16)3-4(7(11)12)8(13)14/h3,5-8H,1-2H3,(H,15,16)
InChIKeyIWWDJVKALSNUHO-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.80
Rot. Bonds4

About 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 12783448) has the molecular formula C10H12F4O2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID12783448
Molecular FormulaC10H12F4O2
Molecular Weight240.20 g/mol
Exact Mass240.08
IUPAC Name3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C=C(C(F)F)C(F)F)C1C(=O)O
InChIInChI=1S/C10H12F4O2/c1-10(2)5(6(10)9(15)16)3-4(7(11)12)8(13)14/h3,5-8H,1-2H3,(H,15,16)
InChIKeyIWWDJVKALSNUHO-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 12783448) is 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C=C(C(F)F)C(F)F)C1C(=O)O.
What is the InChIKey of 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is IWWDJVKALSNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O2/c1-10(2)5(6(10)9(15)16)3-4(7(11)12)8(13)14/h3,5-8H,1-2H3,(H,15,16).
What are the key properties of 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 240.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-3,3-difluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12783448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).