trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate

C14H14F3NO3 — CID 70700365

IUPACtrans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c1-2-21-12(20)13(8-10(13)14(15,16)17)18-11(19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyIRDSAYYXYXAXDG-MFKMUULPSA-N
MW301.26 g/mol
LogP2.30
Rot. Bonds4

About trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate

trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate (PubChem CID 70700365) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
PubChem CID70700365
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Nametrans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c1-2-21-12(20)13(8-10(13)14(15,16)17)18-11(19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyIRDSAYYXYXAXDG-MFKMUULPSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)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

cis-ethyl (1R,2S)-1-(benzenesulfonyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 54577692
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
trans-ethyl (3S,5S)-1-acetyl-3,5-dibenzoyl-4-phenylcyclohexane-1-carboxylate
CID 40929952
methyl 2-(1,1-difluoro-2-phenylethyl)-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 163665985
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
diethyl (2R,4S)-2-benzamido-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pentanedioate
CID 51669902
O-ethyl (1-benzamido-2,2,2-trifluoroethyl)sulfanylmethanethioate
CID 141224381
ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 134469495
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate (CID 70700365) is trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@H]1C(F)(F)F.
What is the InChIKey of trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is IRDSAYYXYXAXDG-MFKMUULPSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-2-21-12(20)13(8-10(13)14(15,16)17)18-11(19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 301.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 70700365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).