2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid

C11H16F2O3 — CID 126845424

IUPAC2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid
SMILESCOCC1C(F)(F)C12CCC(C(=O)O)CC2
InChIInChI=1S/C11H16F2O3/c1-16-6-8-10(11(8,12)13)4-2-7(3-5-10)9(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyXSCQDFLNDATJFP-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.16
Rot. Bonds3

About 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid

2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid (PubChem CID 126845424) has the molecular formula C11H16F2O3 and a molecular weight of 234.24 g/mol. Its IUPAC name is 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid
PubChem CID126845424
Molecular FormulaC11H16F2O3
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Name2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid
SMILESCOCC1C(F)(F)C12CCC(C(=O)O)CC2
InChIInChI=1S/C11H16F2O3/c1-16-6-8-10(11(8,12)13)4-2-7(3-5-10)9(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyXSCQDFLNDATJFP-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 122675610
4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
CID 115017061
3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
4-hydroxy-4-[(4-methoxybutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499519
2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
CID 166272414
2-[(4,4-difluorocyclohexyl)methyl]-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 66731611
trans-(1S,3R)-3-methoxycarbonyl-3-methylcyclopentane-1-carboxylic acid
CID 121455557
2,2-difluorospiro[2.5]octane-6-carboxylic acid;N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]ethanamine;N-ethyl-2,2-difluorospiro[2.5]octane-6-carboxamide
CID 165074529
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid (CID 126845424) is 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid is COCC1C(F)(F)C12CCC(C(=O)O)CC2.
What is the InChIKey of 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid?
The InChIKey is XSCQDFLNDATJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O3/c1-16-6-8-10(11(8,12)13)4-2-7(3-5-10)9(14)15/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid?
2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid has a molecular weight of 234.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 126845424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).