2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid

C12H12F2O2 — CID 84790886

IUPAC2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccccc2C(F)F)CC1
InChIInChI=1S/C12H12F2O2/c13-11(14)8-3-1-2-4-9(8)12(5-6-12)7-10(15)16/h1-4,11H,5-7H2,(H,15,16)
InChIKeyAHFWNIGRGILZPC-UHFFFAOYSA-N
MW226.22 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid

2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 84790886) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
PubChem CID84790886
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccccc2C(F)F)CC1
InChIInChI=1S/C12H12F2O2/c13-11(14)8-3-1-2-4-9(8)12(5-6-12)7-10(15)16/h1-4,11H,5-7H2,(H,15,16)
InChIKeyAHFWNIGRGILZPC-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid (CID 84790886) is 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccccc2C(F)F)CC1.
What is the InChIKey of 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is AHFWNIGRGILZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-11(14)8-3-1-2-4-9(8)12(5-6-12)7-10(15)16/h1-4,11H,5-7H2,(H,15,16).
What are the key properties of 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 226.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 84790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).