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

C8H11F2NO3 — CID 141170557

IUPACethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC=O)CC1C(F)F
InChIInChI=1S/C8H11F2NO3/c1-2-14-7(13)8(11-4-12)3-5(8)6(9)10/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyPDVHVRZAEXLHKU-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.32
Rot. Bonds5

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

ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate (PubChem CID 141170557) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate
PubChem CID141170557
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Nameethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC=O)CC1C(F)F
InChIInChI=1S/C8H11F2NO3/c1-2-14-7(13)8(11-4-12)3-5(8)6(9)10/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyPDVHVRZAEXLHKU-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(difluoromethyl)-1-formylcyclopropane-1-carboxylate
CID 134469345
trans-methyl (1R,2R)-2-(difluoromethyl)-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 118183999
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
cis-ethyl (1R,2R)-1-(chloroamino)-2-ethenylcyclopropane-1-carboxylate
CID 87414825
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 3-methyladamantane-1-carboxylate
CID 91035381
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
cis-ethyl (1S,2R)-2-formyl-1-(trifluoromethyl)cyclopropane-1-carboxylate
CID 166561105
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
N-benzyl-1-phenylmethanamine;bis(carbon dioxide);cis-ethyl (1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylate;ethyl 2-(difluoromethyl)-1-ethylcyclopropane-1-carboxylate
CID 157331433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate (CID 141170557) is ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate is CCOC(=O)C1(NC=O)CC1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate?
The InChIKey is PDVHVRZAEXLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-2-14-7(13)8(11-4-12)3-5(8)6(9)10/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate?
ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate is sourced from PubChem (CID 141170557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).