trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate

C7H10F2O2 — CID 131213145

IUPACtrans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-7(10)5-3-4(5)6(8)9/h4-6H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLUUSYESYLFJQHB-WHFBIAKZSA-N
MW164.15 g/mol
LogP1.45
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate (PubChem CID 131213145) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate
PubChem CID131213145
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Nametrans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-7(10)5-3-4(5)6(8)9/h4-6H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLUUSYESYLFJQHB-WHFBIAKZSA-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 ≤ 500164.15
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-deuterio-2-(difluoromethyl)cyclopropane-1-carboxylate
CID 140818432
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
ethyl 2-(6-methylhept-5-en-2-yl)cyclopropane-1-carboxylate
CID 175561082
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
ethyl 4-(difluoromethyl)cyclohexane-1-carboxylate
CID 59569173
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate (CID 131213145) is trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is LUUSYESYLFJQHB-WHFBIAKZSA-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/t4-,5-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 164.15 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 trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 131213145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).