2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid

C9H12F2O2 — CID 167721189

IUPAC2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid
SMILESO=C(O)CC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H12F2O2/c10-9(11)4-8(5-9)2-6(3-8)1-7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyDQRUVEQKNIWBNV-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.29
Rot. Bonds2

About 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid

2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid (PubChem CID 167721189) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid
PubChem CID167721189
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid
SMILESO=C(O)CC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H12F2O2/c10-9(11)4-8(5-9)2-6(3-8)1-7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyDQRUVEQKNIWBNV-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid?
The IUPAC name of 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid (CID 167721189) is 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid.
What is the SMILES notation for 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid?
The canonical SMILES for 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid is O=C(O)CC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid?
The InChIKey is DQRUVEQKNIWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c10-9(11)4-8(5-9)2-6(3-8)1-7(12)13/h6H,1-5H2,(H,12,13).
What are the key properties of 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid?
2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid has a molecular weight of 190.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid is sourced from PubChem (CID 167721189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).