ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate

C8H10F2O2 — CID 10678846

IUPACethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
SMILESCCOC(=O)[C@@]12C[C@@H]1CC2(F)F
InChIInChI=1S/C8H10F2O2/c1-2-12-6(11)7-3-5(7)4-8(7,9)10/h5H,2-4H2,1H3/t5-,7-/m1/s1
InChIKeyPSCYOLNBMSJYKV-IYSWYEEDSA-N
MW176.16 g/mol
LogP1.59
Rot. Bonds2

About ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate

ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate (PubChem CID 10678846) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
PubChem CID10678846
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Nameethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
SMILESCCOC(=O)[C@@]12C[C@@H]1CC2(F)F
InChIInChI=1S/C8H10F2O2/c1-2-12-6(11)7-3-5(7)4-8(7,9)10/h5H,2-4H2,1H3/t5-,7-/m1/s1
InChIKeyPSCYOLNBMSJYKV-IYSWYEEDSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
ethyl (1S,3R,4S)-2,2-difluoro-3-propylbicyclo[2.1.0]pentane-1-carboxylate
CID 102002530
ethyl 1-fluorocyclopent-3-ene-1-carboxylate
CID 45090301
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
CID 174606518
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 71757726

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate?
The IUPAC name of ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate (CID 10678846) is ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate?
The canonical SMILES for ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate is CCOC(=O)[C@@]12C[C@@H]1CC2(F)F.
What is the InChIKey of ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate?
The InChIKey is PSCYOLNBMSJYKV-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-2-12-6(11)7-3-5(7)4-8(7,9)10/h5H,2-4H2,1H3/t5-,7-/m1/s1.
What are the key properties of ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate?
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate has a molecular weight of 176.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate is sourced from PubChem (CID 10678846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).