(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide

C9H16FNO2 — CID 134861230

IUPAC(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide
SMILESCCC[C@H]1[C@H](F)[C@@H]1C(=O)N(C)OC
InChIInChI=1S/C9H16FNO2/c1-4-5-6-7(8(6)10)9(12)11(2)13-3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyLHTQQHVVCLKZHJ-PRJMDXOYSA-N
MW189.23 g/mol
LogP1.39
Rot. Bonds4

About (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide

(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide (PubChem CID 134861230) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide
PubChem CID134861230
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide
SMILESCCC[C@H]1[C@H](F)[C@@H]1C(=O)N(C)OC
InChIInChI=1S/C9H16FNO2/c1-4-5-6-7(8(6)10)9(12)11(2)13-3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyLHTQQHVVCLKZHJ-PRJMDXOYSA-N
XLogP1.39
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 ≤ 51.39
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 (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide (CID 134861230) is (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide is CCC[C@H]1[C@H](F)[C@@H]1C(=O)N(C)OC.
What is the InChIKey of (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide?
The InChIKey is LHTQQHVVCLKZHJ-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-4-5-6-7(8(6)10)9(12)11(2)13-3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide?
(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 134861230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).