carbamoyl 1-fluorocyclopropane-1-carboxylate

C5H6FNO3 — CID 176792860

IUPACcarbamoyl 1-fluorocyclopropane-1-carboxylate
SMILESNC(=O)OC(=O)C1(F)CC1
InChIInChI=1S/C5H6FNO3/c6-5(1-2-5)3(8)10-4(7)9/h1-2H2,(H2,7,9)
InChIKeyJCECCHMOJIOOJW-UHFFFAOYSA-N
MW147.11 g/mol
LogP0.11
Rot. Bonds1

About carbamoyl 1-fluorocyclopropane-1-carboxylate

carbamoyl 1-fluorocyclopropane-1-carboxylate (PubChem CID 176792860) has the molecular formula C5H6FNO3 and a molecular weight of 147.11 g/mol. Its IUPAC name is carbamoyl 1-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Namecarbamoyl 1-fluorocyclopropane-1-carboxylate
PubChem CID176792860
Molecular FormulaC5H6FNO3
Molecular Weight147.11 g/mol
Exact Mass147.03
IUPAC Namecarbamoyl 1-fluorocyclopropane-1-carboxylate
SMILESNC(=O)OC(=O)C1(F)CC1
InChIInChI=1S/C5H6FNO3/c6-5(1-2-5)3(8)10-4(7)9/h1-2H2,(H2,7,9)
InChIKeyJCECCHMOJIOOJW-UHFFFAOYSA-N
XLogP0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.11
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbamoyl 1-fluorocyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2,2-trifluoroacetyl) 4-fluoropiperidine-4-carboxylate
CID 174230111
carbamoyl carbamate;dihydrochloride
CID 175326234
2-chloroethenyl 1-fluorocyclopropane-1-carboxylate
CID 88782461
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
CID 174934664
CID 87631094
CID 87631094
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
CID 70650926
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175007115
[(1S,2R)-2-amino-5,5-difluorocyclohexyl] carbamate
CID 175009016
ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
CID 177209400
[(E)-1-iodoprop-1-enyl] carbamate
CID 87920039
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342

Frequently Asked Questions

What is the IUPAC name of carbamoyl 1-fluorocyclopropane-1-carboxylate?
The IUPAC name of carbamoyl 1-fluorocyclopropane-1-carboxylate (CID 176792860) is carbamoyl 1-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for carbamoyl 1-fluorocyclopropane-1-carboxylate?
The canonical SMILES for carbamoyl 1-fluorocyclopropane-1-carboxylate is NC(=O)OC(=O)C1(F)CC1.
What is the InChIKey of carbamoyl 1-fluorocyclopropane-1-carboxylate?
The InChIKey is JCECCHMOJIOOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3/c6-5(1-2-5)3(8)10-4(7)9/h1-2H2,(H2,7,9).
What are the key properties of carbamoyl 1-fluorocyclopropane-1-carboxylate?
carbamoyl 1-fluorocyclopropane-1-carboxylate has a molecular weight of 147.11 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 1-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 176792860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).