(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate

C9H8FNO3S — CID 175380364

IUPAC(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate
SMILESO=C(Nc1ccc(F)s1)OC(=O)C1CC1
InChIInChI=1S/C9H8FNO3S/c10-6-3-4-7(15-6)11-9(13)14-8(12)5-1-2-5/h3-5H,1-2H2,(H,11,13)
InChIKeyUOIUJHGULXPQFH-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.37
Rot. Bonds2

About (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate

(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate (PubChem CID 175380364) has the molecular formula C9H8FNO3S and a molecular weight of 229.23 g/mol. Its IUPAC name is (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate
PubChem CID175380364
Molecular FormulaC9H8FNO3S
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate
SMILESO=C(Nc1ccc(F)s1)OC(=O)C1CC1
InChIInChI=1S/C9H8FNO3S/c10-6-3-4-7(15-6)11-9(13)14-8(12)5-1-2-5/h3-5H,1-2H2,(H,11,13)
InChIKeyUOIUJHGULXPQFH-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)carbamoyl cyclopropanecarboxylate
CID 175187353
[5-bromo-2-(trifluoromethyl)phenyl]carbamoyl cyclopropanecarboxylate
CID 174811130
[5-bromo-2-(trifluoromethoxy)phenyl]carbamoyl cyclopropanecarboxylate
CID 174804391
2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 86937892
bis[(4-aminophenyl)carbamoyl] cyclobutane-1,3-dicarboxylate
CID 146451370
N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150612
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
methyl 2-(cyclopropanecarbonylamino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 4073091
N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86868025

Frequently Asked Questions

What is the IUPAC name of (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate?
The IUPAC name of (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate (CID 175380364) is (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate.
What is the SMILES notation for (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate?
The canonical SMILES for (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate is O=C(Nc1ccc(F)s1)OC(=O)C1CC1.
What is the InChIKey of (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate?
The InChIKey is UOIUJHGULXPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3S/c10-6-3-4-7(15-6)11-9(13)14-8(12)5-1-2-5/h3-5H,1-2H2,(H,11,13).
What are the key properties of (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate?
(5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate has a molecular weight of 229.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorothiophen-2-yl)carbamoyl cyclopropanecarboxylate is sourced from PubChem (CID 175380364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).