8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C10H14F2O4 — CID 162678888

IUPAC8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O4/c11-7(12)9(8(13)14)1-3-10(4-2-9)15-5-6-16-10/h7H,1-6H2,(H,13,14)
InChIKeyMFKPZLLQOZBQNB-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.64
Rot. Bonds2

About 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 162678888) has the molecular formula C10H14F2O4 and a molecular weight of 236.21 g/mol. Its IUPAC name is 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID162678888
Molecular FormulaC10H14F2O4
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14F2O4/c11-7(12)9(8(13)14)1-3-10(4-2-9)15-5-6-16-10/h7H,1-6H2,(H,13,14)
InChIKeyMFKPZLLQOZBQNB-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 162678888) is 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1(C(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is MFKPZLLQOZBQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O4/c11-7(12)9(8(13)14)1-3-10(4-2-9)15-5-6-16-10/h7H,1-6H2,(H,13,14).
What are the key properties of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 236.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 162678888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).