tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene

C15H17FN2O2 — CID 174963481

IUPACtert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene
SMILESCC(C)(C)OC(N)=O.Cc1nc2c3cccc-2c3c1F
InChIInChI=1S/C10H6FN.C5H11NO2/c1-5-9(11)8-6-3-2-4-7(8)10(6)12-5;1-5(2,3)8-4(6)7/h2-4H,1H3;1-3H3,(H2,6,7)
InChIKeyQFGSRTBLJYYSOE-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.54
Rot. Bonds

About tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene

tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene (PubChem CID 174963481) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene.

Molecular Properties

Compound Nametert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene
PubChem CID174963481
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Nametert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene
SMILESCC(C)(C)OC(N)=O.Cc1nc2c3cccc-2c3c1F
InChIInChI=1S/C10H6FN.C5H11NO2/c1-5-9(11)8-6-3-2-4-7(8)10(6)12-5;1-5(2,3)8-4(6)7/h2-4H,1H3;1-3H3,(H2,6,7)
InChIKeyQFGSRTBLJYYSOE-UHFFFAOYSA-N
XLogP3.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene?
The IUPAC name of tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene (CID 174963481) is tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene.
What is the SMILES notation for tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene?
The canonical SMILES for tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene is CC(C)(C)OC(N)=O.Cc1nc2c3cccc-2c3c1F.
What is the InChIKey of tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene?
The InChIKey is QFGSRTBLJYYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN.C5H11NO2/c1-5-9(11)8-6-3-2-4-7(8)10(6)12-5;1-5(2,3)8-4(6)7/h2-4H,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene?
tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene has a molecular weight of 276.31 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;5-fluoro-4-methyl-3-azatricyclo[4.4.0.02,7]deca-1(6),2,4,7,9-pentaene is sourced from PubChem (CID 174963481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).