1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate

C12H10F2O3 — CID 139627941

IUPAC1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate
SMILESC#CC(OC(=O)C1CC1)c1ccc(C(F)F)o1
InChIInChI=1S/C12H10F2O3/c1-2-8(17-12(15)7-3-4-7)9-5-6-10(16-9)11(13)14/h1,5-8,11H,3-4H2
InChIKeyBIPUBNZMWBLDQE-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.84
Rot. Bonds4

About 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate

1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate (PubChem CID 139627941) has the molecular formula C12H10F2O3 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate.

Molecular Properties

Compound Name1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate
PubChem CID139627941
Molecular FormulaC12H10F2O3
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate
SMILESC#CC(OC(=O)C1CC1)c1ccc(C(F)F)o1
InChIInChI=1S/C12H10F2O3/c1-2-8(17-12(15)7-3-4-7)9-5-6-10(16-9)11(13)14/h1,5-8,11H,3-4H2
InChIKeyBIPUBNZMWBLDQE-UHFFFAOYSA-N
XLogP2.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-oxazol-5-yl cyclopropanecarboxylate
CID 142549208
propan-2-yl cyclopropanecarboxylate
CID 550170
but-3-yn-2-yl cyclobutanecarboxylate
CID 22212163
(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
CID 55319933
1,3-dihydroxypropan-2-yl cyclopropanecarboxylate
CID 66970387
[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 167836585
benzhydryl cyclobutanecarboxylate
CID 134016551
(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate
CID 175380364
trans-[(1R)-1-(2-methoxyphenyl)prop-2-ynyl] (1R,2R)-2-benzoylcyclohexane-1-carboxylate
CID 53307024
[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate
CID 101256864
benzhydryl cyclohexanecarboxylate
CID 11254888

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate?
The IUPAC name of 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate (CID 139627941) is 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate.
What is the SMILES notation for 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate?
The canonical SMILES for 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate is C#CC(OC(=O)C1CC1)c1ccc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate?
The InChIKey is BIPUBNZMWBLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O3/c1-2-8(17-12(15)7-3-4-7)9-5-6-10(16-9)11(13)14/h1,5-8,11H,3-4H2.
What are the key properties of 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate?
1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate has a molecular weight of 240.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate is sourced from PubChem (CID 139627941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).