methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate

C10H12F2O2 — CID 67880333

IUPACmethyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(=C2CC2(F)F)C1(C)C
InChIInChI=1S/C10H12F2O2/c1-9(2)6(5-4-10(5,11)12)7(9)8(13)14-3/h7H,4H2,1-3H3
InChIKeyRRLBUMKSMMZRKT-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.15
Rot. Bonds1

About methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate

methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 67880333) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID67880333
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Namemethyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(=C2CC2(F)F)C1(C)C
InChIInChI=1S/C10H12F2O2/c1-9(2)6(5-4-10(5,11)12)7(9)8(13)14-3/h7H,4H2,1-3H3
InChIKeyRRLBUMKSMMZRKT-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
sodium;hydride;methyl 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxylate
CID 173414595
tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 11355013
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
methyl 2-methyl-4,6-dioxo-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 18755553
methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 102007340
methyl (3S)-4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
CID 97292714
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
methyl (1R)-3-acetyl-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 7048833
trans-methyl (1R,2R)-2-(3,3-difluoro-2-methoxycyclobuten-1-yl)cyclopropane-1-carboxylate
CID 11160267
methyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
CID 12896709
methyl 5,5-difluoro-2-oxocyclohexane-1-carboxylate
CID 156900267

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate (CID 67880333) is methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1C(=C2CC2(F)F)C1(C)C.
What is the InChIKey of methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is RRLBUMKSMMZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-9(2)6(5-4-10(5,11)12)7(9)8(13)14-3/h7H,4H2,1-3H3.
What are the key properties of methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 202.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 67880333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).