ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate

C7H10F2O2 — CID 140818432

IUPACethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate
SMILES[2H]C1(C(=O)OCC)CC1C(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-7(10)5-3-4(5)6(8)9/h4-6H,2-3H2,1H3/i5D
InChIKeyLUUSYESYLFJQHB-UICOGKGYSA-N
MW165.16 g/mol
LogP1.45
Rot. Bonds3

About ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate

ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate (PubChem CID 140818432) has the molecular formula C7H10F2O2 and a molecular weight of 165.16 g/mol. Its IUPAC name is ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate
PubChem CID140818432
Molecular FormulaC7H10F2O2
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Nameethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate
SMILES[2H]C1(C(=O)OCC)CC1C(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-7(10)5-3-4(5)6(8)9/h4-6H,2-3H2,1H3/i5D
InChIKeyLUUSYESYLFJQHB-UICOGKGYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate (CID 140818432) is ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate is [2H]C1(C(=O)OCC)CC1C(F)F.
What is the InChIKey of ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is LUUSYESYLFJQHB-UICOGKGYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-2-11-7(10)5-3-4(5)6(8)9/h4-6H,2-3H2,1H3/i5D.
What are the key properties of ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate?
ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 165.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 140818432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).