1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid

C8H10F2O4 — CID 170443051

IUPAC1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC(F)F)CCCC1
InChIInChI=1S/C8H10F2O4/c9-7(10)14-6(13)8(5(11)12)3-1-2-4-8/h7H,1-4H2,(H,11,12)
InChIKeyHWWZFCLWWNWWPD-UHFFFAOYSA-N
MW208.16 g/mol
LogP1.40
Rot. Bonds3

About 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid

1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid (PubChem CID 170443051) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid
PubChem CID170443051
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OC(F)F)CCCC1
InChIInChI=1S/C8H10F2O4/c9-7(10)14-6(13)8(5(11)12)3-1-2-4-8/h7H,1-4H2,(H,11,12)
InChIKeyHWWZFCLWWNWWPD-UHFFFAOYSA-N
XLogP1.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 175054527
1-(2,2-difluoroacetyl)cyclopentane-1-carboxylic acid
CID 170443188
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 174614637
1-(2-carboxy-1-hydroxy-2-methylpropoxy)carbonylcyclohexane-1-carboxylic acid
CID 142658136
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
cadmium;cyclohexane-1,1-dicarboxylic acid
CID 175391690
alumane;cyclohexane-1,1-dicarboxylic acid
CID 175587551
cyclohexane-1,1-dicarboxylic acid;zinc
CID 134612672
1-ethenoxycarbonylcyclodecane-1-carboxylic acid
CID 175549049

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid (CID 170443051) is 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)OC(F)F)CCCC1.
What is the InChIKey of 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is HWWZFCLWWNWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c9-7(10)14-6(13)8(5(11)12)3-1-2-4-8/h7H,1-4H2,(H,11,12).
What are the key properties of 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid?
1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxycarbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).