ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate

C7H8FNO2 — CID 117058548

IUPACethyl 1-cyano-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C#N)CC1F
InChIInChI=1S/C7H8FNO2/c1-2-11-6(10)7(4-9)3-5(7)8/h5H,2-3H2,1H3
InChIKeyRJLQSJLETXMONV-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.80
Rot. Bonds2

About ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate

ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate (PubChem CID 117058548) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyano-2-fluorocyclopropane-1-carboxylate
PubChem CID117058548
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Nameethyl 1-cyano-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C#N)CC1F
InChIInChI=1S/C7H8FNO2/c1-2-11-6(10)7(4-9)3-5(7)8/h5H,2-3H2,1H3
InChIKeyRJLQSJLETXMONV-UHFFFAOYSA-N
XLogP0.80
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate 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 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl (1R,2R,4R)-1-cyano-2-methyl-4-methylsulfonylcyclopentane-1-carboxylate
CID 124746002
ethyl (1R,2R,4R)-1-cyano-4-ethylsulfonyl-2-methylcyclopentane-1-carboxylate
CID 124748876
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
ethyl 1-cyano-3-ethylcyclobutane-1-carboxylate
CID 79560172
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 1-cyano-3-propylcyclobutane-1-carboxylate
CID 79559745
ethyl (1S,2R,3S)-1-cyano-3-methyl-3-nitro-2-(2-oxopropyl)cyclopentane-1-carboxylate
CID 10684286
ethyl (1S,2R,3R,4S)-1,3-dicyano-4-hydroxy-3-methyl-2-(2-oxopropyl)cyclohexane-1-carboxylate
CID 100994091
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl 2-cyano-3H-1,3-oxazole-2-carboxylate
CID 142790900
cis-triethyl (2R,3S)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentane-1,1,3-tricarboxylate
CID 10983385

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate (CID 117058548) is ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate is CCOC(=O)C1(C#N)CC1F.
What is the InChIKey of ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate?
The InChIKey is RJLQSJLETXMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-11-6(10)7(4-9)3-5(7)8/h5H,2-3H2,1H3.
What are the key properties of ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate?
ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate has a molecular weight of 157.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 117058548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).