ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate

C17H17BrFNO3 — CID 147445719

IUPACethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate
SMILESCCOC(=O)C1CCC2=C(Cc3c(C(N)=O)cc(Br)c(F)c32)C1
InChIInChI=1S/C17H17BrFNO3/c1-2-23-17(22)8-3-4-10-9(5-8)6-11-12(16(20)21)7-13(18)15(19)14(10)11/h7-8H,2-6H2,1H3,(H2,20,21)
InChIKeyDXBVRPSTHNQZKV-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.36
Rot. Bonds3

About ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate

ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate (PubChem CID 147445719) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate
PubChem CID147445719
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Nameethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate
SMILESCCOC(=O)C1CCC2=C(Cc3c(C(N)=O)cc(Br)c(F)c32)C1
InChIInChI=1S/C17H17BrFNO3/c1-2-23-17(22)8-3-4-10-9(5-8)6-11-12(16(20)21)7-13(18)15(19)14(10)11/h7-8H,2-6H2,1H3,(H2,20,21)
InChIKeyDXBVRPSTHNQZKV-UHFFFAOYSA-N
XLogP3.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate (CID 147445719) is ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate is CCOC(=O)C1CCC2=C(Cc3c(C(N)=O)cc(Br)c(F)c32)C1.
What is the InChIKey of ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate?
The InChIKey is DXBVRPSTHNQZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-2-23-17(22)8-3-4-10-9(5-8)6-11-12(16(20)21)7-13(18)15(19)14(10)11/h7-8H,2-6H2,1H3,(H2,20,21).
What are the key properties of ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate?
ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate has a molecular weight of 382.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-carbamoyl-5-fluoro-2,3,4,9-tetrahydro-1H-fluorene-2-carboxylate is sourced from PubChem (CID 147445719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).