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

C10H12FNO2S — CID 134845661

IUPAC(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1[C@@H](F)[C@@H]1c1cccs1
InChIInChI=1S/C10H12FNO2S/c1-12(14-2)10(13)8-7(9(8)11)6-4-3-5-15-6/h3-5,7-9H,1-2H3/t7-,8-,9+/m1/s1
InChIKeyXCHOHKYWMZWZFE-HLTSFMKQSA-N
MW229.28 g/mol
LogP1.82
Rot. Bonds3

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

(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 134845661) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID134845661
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1[C@@H](F)[C@@H]1c1cccs1
InChIInChI=1S/C10H12FNO2S/c1-12(14-2)10(13)8-7(9(8)11)6-4-3-5-15-6/h3-5,7-9H,1-2H3/t7-,8-,9+/m1/s1
InChIKeyXCHOHKYWMZWZFE-HLTSFMKQSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 174828931
methyl 2-[(1R,2S,3S)-2-nitro-3-thiophen-2-ylcyclopropyl]-2-oxoacetate
CID 102499979
(3R,4R)-N-methoxy-N-methyl-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 124938622
[(1R,2R,3S,4S)-2-(furan-2-carbonyl)-3,4-dithiophen-2-ylcyclobutyl]-(furan-2-yl)methanone
CID 101058523
2-formyl-3-methoxycarbonyl-6-methyl-4-thiophen-2-yl-2,3,4,5-tetrahydropyridine-5-carboxylic acid
CID 56987579
2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 123258315
2-methyl-3-thiophen-2-yloxirane-2-carboxylic acid
CID 123672356
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
CID 88670818
methyl (1S)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 3052072
methyl 8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 3051997

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide (CID 134845661) is (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide is CON(C)C(=O)[C@H]1[C@@H](F)[C@@H]1c1cccs1.
What is the InChIKey of (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is XCHOHKYWMZWZFE-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-12(14-2)10(13)8-7(9(8)11)6-4-3-5-15-6/h3-5,7-9H,1-2H3/t7-,8-,9+/m1/s1.
What are the key properties of (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide?
(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 134845661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).