trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide

C7H10F3NO2 — CID 91658732

IUPACtrans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11(13-2)6(12)4-3-5(4)7(8,9)10/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyULYLGHYOCDXXMC-RFZPGFLSSA-N
MW197.16 g/mol
LogP1.20
Rot. Bonds2

About trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 91658732) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID91658732
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Nametrans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11(13-2)6(12)4-3-5(4)7(8,9)10/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyULYLGHYOCDXXMC-RFZPGFLSSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-methoxy-N-methylacetamide
CID 22473766
N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
3,3-Difluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
CID 87068234
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53416131
4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
CID 57356913
4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
CID 86679021
5,5,5-trifluoro-N-methoxy-N-methylpentanamide
CID 87257309
2,2,4,4-tetrafluoro-N-methoxy-N-methylpentanamide
CID 90124629
Cis-2-fluoro-N-methoxy-N-methylcyclopropanecarboxamide
CID 91884935
trans-2-Fluoro-N-methoxy-N-methylcyclopropane-carboxamide
CID 117058561
cis-2-Fluoro-N-methoxy-N-methylcyclopropane-carboxamide
CID 118993538

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 91658732) is trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is ULYLGHYOCDXXMC-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-11(13-2)6(12)4-3-5(4)7(8,9)10/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91658732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).