2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide

C12H14FNO2 — CID 123258315

IUPAC2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1(F)c1ccccc1
InChIInChI=1S/C12H14FNO2/c1-14(16-2)11(15)10-8-12(10,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyUFBBTMLKEHBTQC-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.89
Rot. Bonds3

About 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide

2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 123258315) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID123258315
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1(F)c1ccccc1
InChIInChI=1S/C12H14FNO2/c1-14(16-2)11(15)10-8-12(10,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyUFBBTMLKEHBTQC-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide (CID 123258315) is 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide is CON(C)C(=O)C1CC1(F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is UFBBTMLKEHBTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14(16-2)11(15)10-8-12(10,13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide?
2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 123258315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).