cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate

C8H11F3O3 — CID 142540009

IUPACcis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1COC(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-2-13-7(12)6-3-5(6)4-14-8(9,10)11/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyYQTAAIGXKCZFFS-NTSWFWBYSA-N
MW212.17 g/mol
LogP1.72
Rot. Bonds4

About cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate (PubChem CID 142540009) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
PubChem CID142540009
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Namecis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1COC(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-2-13-7(12)6-3-5(6)4-14-8(9,10)11/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyYQTAAIGXKCZFFS-NTSWFWBYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
ethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopropane-1-carboxylate
CID 23075047
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 13039526
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57095228
ethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]cyclopropane-1-carboxylate
CID 42776881
ethyl 2-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carboxylate
CID 140808662
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate (CID 142540009) is cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1COC(F)(F)F.
What is the InChIKey of cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate?
The InChIKey is YQTAAIGXKCZFFS-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H11F3O3/c1-2-13-7(12)6-3-5(6)4-14-8(9,10)11/h5-6H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate has a molecular weight of 212.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 142540009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).