2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid

C10H14F2O2 — CID 105455969

IUPAC2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C10H14F2O2/c11-10(12)6-9(10)3-1-7(2-4-9)5-8(13)14/h7H,1-6H2,(H,13,14)
InChIKeyGYWANCDNMZRNBD-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.68
Rot. Bonds2

About 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid

2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid (PubChem CID 105455969) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
PubChem CID105455969
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C10H14F2O2/c11-10(12)6-9(10)3-1-7(2-4-9)5-8(13)14/h7H,1-6H2,(H,13,14)
InChIKeyGYWANCDNMZRNBD-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.68
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[2.5]octan-6-yl)acetic acid?
The IUPAC name of 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid (CID 105455969) is 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid.
What is the SMILES notation for 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid?
The canonical SMILES for 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid is O=C(O)CC1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid?
The InChIKey is GYWANCDNMZRNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-10(12)6-9(10)3-1-7(2-4-9)5-8(13)14/h7H,1-6H2,(H,13,14).
What are the key properties of 2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid?
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid has a molecular weight of 204.22 g/mol, XLogP of 2.68, 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[2.5]octan-6-yl)acetic acid is sourced from PubChem (CID 105455969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).