ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate

C8H10F2O3 — CID 134469345

IUPACethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C=O)CC1C(F)F
InChIInChI=1S/C8H10F2O3/c1-2-13-7(12)8(4-11)3-5(8)6(9)10/h4-6H,2-3H2,1H3
InChIKeyRIWATKHZMGOZFA-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate

ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate (PubChem CID 134469345) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate
PubChem CID134469345
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Nameethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C=O)CC1C(F)F
InChIInChI=1S/C8H10F2O3/c1-2-13-7(12)8(4-11)3-5(8)6(9)10/h4-6H,2-3H2,1H3
InChIKeyRIWATKHZMGOZFA-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate
CID 141170557
cis-ethyl (1S,2R)-2-formyl-1-(trifluoromethyl)cyclopropane-1-carboxylate
CID 166561105
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 3-(chloromethyl)-3-formylbicyclo[2.1.1]hexane-1-carboxylate
CID 166923712
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
cis-ethyl (1R,2R)-2-(3-methylphenyl)-1-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 122368346
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate (CID 134469345) is ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate is CCOC(=O)C1(C=O)CC1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate?
The InChIKey is RIWATKHZMGOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c1-2-13-7(12)8(4-11)3-5(8)6(9)10/h4-6H,2-3H2,1H3.
What are the key properties of ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate?
ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate has a molecular weight of 192.16 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate is sourced from PubChem (CID 134469345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).