5,5-difluorospiro[2.3]hexane-2-carboxylic acid

C7H8F2O2 — CID 146082576

IUPAC5,5-difluorospiro[2.3]hexane-2-carboxylic acid
SMILESO=C(O)C1CC12CC(F)(F)C2
InChIInChI=1S/C7H8F2O2/c8-7(9)2-6(3-7)1-4(6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKeyHWBRQJXXPQMTAD-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.51
Rot. Bonds1

About 5,5-difluorospiro[2.3]hexane-2-carboxylic acid

5,5-difluorospiro[2.3]hexane-2-carboxylic acid (PubChem CID 146082576) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 5,5-difluorospiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name5,5-difluorospiro[2.3]hexane-2-carboxylic acid
PubChem CID146082576
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name5,5-difluorospiro[2.3]hexane-2-carboxylic acid
SMILESO=C(O)C1CC12CC(F)(F)C2
InChIInChI=1S/C7H8F2O2/c8-7(9)2-6(3-7)1-4(6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKeyHWBRQJXXPQMTAD-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Spiro(2.3)hexane-1-carboxylic Acid
CID 4642003
2,2-Difluorospiro[2.3]hexane-1-carboxylic acid
CID 130743894
6,6-Difluorospiro[3.3]heptane-2-carboxylic acid
CID 71743974
6,6-Difluorospiro(2.5)octane-1-carboxylic acid
CID 86276644
3-(3,3-Difluorocyclobutyl)propanoic acid
CID 90079824
1,1-Difluoro-5-methylspiro(2.3)hexane-5-carboxylic acid
CID 118061823
1,1-Difluorospiro(2.3)hexane-5-carboxylic acid
CID 118062966
3,3-Difluorospiro(3.3)heptane-1-carboxylic acid
CID 165941611
3,3-Difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
CID 167719562
3-[1-(Difluoromethyl)cyclopropyl]propanoic acid
CID 168023358
3-Cyclobutyl-4,4,4-trifluorobutanoic acid
CID 80486979
Spiro[2.3]hexane-4-carboxylic acid
CID 84716064

Frequently Asked Questions

What is the IUPAC name of 5,5-difluorospiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 5,5-difluorospiro[2.3]hexane-2-carboxylic acid (CID 146082576) is 5,5-difluorospiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 5,5-difluorospiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 5,5-difluorospiro[2.3]hexane-2-carboxylic acid is O=C(O)C1CC12CC(F)(F)C2.
What is the InChIKey of 5,5-difluorospiro[2.3]hexane-2-carboxylic acid?
The InChIKey is HWBRQJXXPQMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9)2-6(3-7)1-4(6)5(10)11/h4H,1-3H2,(H,10,11).
What are the key properties of 5,5-difluorospiro[2.3]hexane-2-carboxylic acid?
5,5-difluorospiro[2.3]hexane-2-carboxylic acid has a molecular weight of 162.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorospiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 146082576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).