diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate

C11H16F2O4 — CID 18930466

IUPACdiethyl 4,4-difluorocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(F)(F)CC1C(=O)OCC
InChIInChI=1S/C11H16F2O4/c1-3-16-9(14)7-5-11(12,13)6-8(7)10(15)17-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWCPWMUIXTQDMCA-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.77
Rot. Bonds4

About diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate

diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate (PubChem CID 18930466) has the molecular formula C11H16F2O4 and a molecular weight of 250.24 g/mol. Its IUPAC name is diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,4-difluorocyclopentane-1,2-dicarboxylate
PubChem CID18930466
Molecular FormulaC11H16F2O4
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Namediethyl 4,4-difluorocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(F)(F)CC1C(=O)OCC
InChIInChI=1S/C11H16F2O4/c1-3-16-9(14)7-5-11(12,13)6-8(7)10(15)17-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWCPWMUIXTQDMCA-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 1,2-cyclopentanedicarboxylate
CID 3021700
1,2-Cyclopentanedicarboxylic acid, dimethyl ester
CID 144294
Ethyl 2-(2,2-difluorocyclopentyl)acetate
CID 58288284
(1R,2S)-1,2-Cyclopentanedicarboxylic acid dimethyl ester
CID 642994
Succinic acid, 1,1,1-trifluoroprop-2-yl 1-cyclopentylethyl ester
CID 91732314
rac-(1R,2R)-4,4-difluoro-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
CID 145709175
Diisobutyl cyclopentane-1,2-dicarboxylate
CID 66930297
Ethyl 2,2-difluoro-3-(2-methylcyclopentyl)propanoate
CID 10036397
Diethyl 4,4-difluoro-3-methylheptanedioate
CID 10378220
Diethyl trans-cyclopentane-1,2-dicarboxylate
CID 121741
Ethyl 3-cyclopentyl-4,4,4-trifluorobutanoate
CID 15002817
Bis(2,2-dimethylpropyl) 2-methyl-3-(3,3,3-trifluoropropyl)butanedioate
CID 22241842

Frequently Asked Questions

What is the IUPAC name of diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate (CID 18930466) is diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate is CCOC(=O)C1CC(F)(F)CC1C(=O)OCC.
What is the InChIKey of diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate?
The InChIKey is WCPWMUIXTQDMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O4/c1-3-16-9(14)7-5-11(12,13)6-8(7)10(15)17-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate?
diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate has a molecular weight of 250.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,4-difluorocyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 18930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).