2,2-difluorospiro[2.2]pentane-1-carboxylic acid

C6H6F2O2 — CID 136575763

IUPAC2,2-difluorospiro[2.2]pentane-1-carboxylic acid
SMILESO=C(O)C1C(F)(F)C12CC2
InChIInChI=1S/C6H6F2O2/c7-6(8)3(4(9)10)5(6)1-2-5/h3H,1-2H2,(H,9,10)
InChIKeyXVFUXEFIBLXNBX-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.12
Rot. Bonds1

About 2,2-difluorospiro[2.2]pentane-1-carboxylic acid

2,2-difluorospiro[2.2]pentane-1-carboxylic acid (PubChem CID 136575763) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2,2-difluorospiro[2.2]pentane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluorospiro[2.2]pentane-1-carboxylic acid
PubChem CID136575763
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name2,2-difluorospiro[2.2]pentane-1-carboxylic acid
SMILESO=C(O)C1C(F)(F)C12CC2
InChIInChI=1S/C6H6F2O2/c7-6(8)3(4(9)10)5(6)1-2-5/h3H,1-2H2,(H,9,10)
InChIKeyXVFUXEFIBLXNBX-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
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2,2,6,6-tetrafluorocyclohex-3-ene-1-carboxylic acid
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7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.2]pentane-1-carboxylic acid?
The IUPAC name of 2,2-difluorospiro[2.2]pentane-1-carboxylic acid (CID 136575763) is 2,2-difluorospiro[2.2]pentane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluorospiro[2.2]pentane-1-carboxylic acid?
The canonical SMILES for 2,2-difluorospiro[2.2]pentane-1-carboxylic acid is O=C(O)C1C(F)(F)C12CC2.
What is the InChIKey of 2,2-difluorospiro[2.2]pentane-1-carboxylic acid?
The InChIKey is XVFUXEFIBLXNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O2/c7-6(8)3(4(9)10)5(6)1-2-5/h3H,1-2H2,(H,9,10).
What are the key properties of 2,2-difluorospiro[2.2]pentane-1-carboxylic acid?
2,2-difluorospiro[2.2]pentane-1-carboxylic acid has a molecular weight of 148.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.2]pentane-1-carboxylic acid is sourced from PubChem (CID 136575763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).