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

C9H16FNO2 — CID 141371496

IUPAC1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide
SMILESCCCC1CC1(F)C(=O)N(C)OC
InChIInChI=1S/C9H16FNO2/c1-4-5-7-6-9(7,10)8(12)11(2)13-3/h7H,4-6H2,1-3H3
InChIKeyRVXKSEBAEFBPEP-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.53
Rot. Bonds4

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

1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide (PubChem CID 141371496) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide
PubChem CID141371496
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide
SMILESCCCC1CC1(F)C(=O)N(C)OC
InChIInChI=1S/C9H16FNO2/c1-4-5-7-6-9(7,10)8(12)11(2)13-3/h7H,4-6H2,1-3H3
InChIKeyRVXKSEBAEFBPEP-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.53
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 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide (CID 141371496) is 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide is CCCC1CC1(F)C(=O)N(C)OC.
What is the InChIKey of 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide?
The InChIKey is RVXKSEBAEFBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-4-5-7-6-9(7,10)8(12)11(2)13-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide?
1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 141371496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).