methyl 2-(2,2-difluorocyclopropyl)acetate

C6H8F2O2 — CID 146229342

IUPACmethyl 2-(2,2-difluorocyclopropyl)acetate
SMILESCOC(=O)CC1CC1(F)F
InChIInChI=1S/C6H8F2O2/c1-10-5(9)2-4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyUPOJOPFNEPOANZ-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.20
Rot. Bonds2

About methyl 2-(2,2-difluorocyclopropyl)acetate

methyl 2-(2,2-difluorocyclopropyl)acetate (PubChem CID 146229342) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is methyl 2-(2,2-difluorocyclopropyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluorocyclopropyl)acetate
PubChem CID146229342
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Namemethyl 2-(2,2-difluorocyclopropyl)acetate
SMILESCOC(=O)CC1CC1(F)F
InChIInChI=1S/C6H8F2O2/c1-10-5(9)2-4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyUPOJOPFNEPOANZ-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
2-(2,2-difluorocyclopropyl)acetyl chloride
CID 14458504
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
CID 141099553
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
CID 13424932
methyl 2-[(1R,3S,6S)-3-tricyclo[2.2.1.02,6]heptanyl]acetate
CID 131860871
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
methyl 2-[(1R,2S,3R,5S)-1-fluoro-3,6-dihydroxy-2-bicyclo[3.1.0]hexanyl]acetate
CID 141117145
methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
CID 131560848
3-(2,2-difluorocyclopropyl)-N-methylpropanamide
CID 175397167
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluorocyclopropyl)acetate?
The IUPAC name of methyl 2-(2,2-difluorocyclopropyl)acetate (CID 146229342) is methyl 2-(2,2-difluorocyclopropyl)acetate.
What is the SMILES notation for methyl 2-(2,2-difluorocyclopropyl)acetate?
The canonical SMILES for methyl 2-(2,2-difluorocyclopropyl)acetate is COC(=O)CC1CC1(F)F.
What is the InChIKey of methyl 2-(2,2-difluorocyclopropyl)acetate?
The InChIKey is UPOJOPFNEPOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-10-5(9)2-4-3-6(4,7)8/h4H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2-difluorocyclopropyl)acetate?
methyl 2-(2,2-difluorocyclopropyl)acetate has a molecular weight of 150.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluorocyclopropyl)acetate is sourced from PubChem (CID 146229342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).