tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate

C20H21FN2O2 — CID 166446608

IUPACtert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c2ccccc12
InChIInChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-11-10-18-15-7-5-4-6-14(15)16-12-13(21)8-9-17(16)23-18/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyPYVJQHRORGRWJO-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate

tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate (PubChem CID 166446608) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate
PubChem CID166446608
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c2ccccc12
InChIInChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-11-10-18-15-7-5-4-6-14(15)16-12-13(21)8-9-17(16)23-18/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyPYVJQHRORGRWJO-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate (CID 166446608) is tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c2ccccc12.
What is the InChIKey of tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate?
The InChIKey is PYVJQHRORGRWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-20(2,3)25-19(24)22-11-10-18-15-7-5-4-6-14(15)16-12-13(21)8-9-17(16)23-18/h4-9,12H,10-11H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate?
tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate has a molecular weight of 340.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluorophenanthridin-6-yl)ethyl]carbamate is sourced from PubChem (CID 166446608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).