(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid

C12H13FN2O2 — CID 146571443

IUPAC(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid
SMILESO=C(O)Nc1c2c(nc3c1CCC3F)CCC2
InChIInChI=1S/C12H13FN2O2/c13-8-5-4-7-10(15-12(16)17)6-2-1-3-9(6)14-11(7)8/h8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyODSNCCIMNALGNE-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.62
Rot. Bonds1

About (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid

(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid (PubChem CID 146571443) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid.

Molecular Properties

Compound Name(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid
PubChem CID146571443
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid
SMILESO=C(O)Nc1c2c(nc3c1CCC3F)CCC2
InChIInChI=1S/C12H13FN2O2/c13-8-5-4-7-10(15-12(16)17)6-2-1-3-9(6)14-11(7)8/h8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyODSNCCIMNALGNE-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid?
The IUPAC name of (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid (CID 146571443) is (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid.
What is the SMILES notation for (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid?
The canonical SMILES for (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid is O=C(O)Nc1c2c(nc3c1CCC3F)CCC2.
What is the InChIKey of (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid?
The InChIKey is ODSNCCIMNALGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-8-5-4-7-10(15-12(16)17)6-2-1-3-9(6)14-11(7)8/h8H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid?
(4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid has a molecular weight of 236.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)carbamic acid is sourced from PubChem (CID 146571443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).