2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol

C11H7F4NO — CID 18457400

IUPAC2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol
SMILESCNc1c(F)c(F)cc2c(O)c(F)c(F)cc12
InChIInChI=1S/C11H7F4NO/c1-16-10-4-2-7(13)9(15)11(17)5(4)3-6(12)8(10)14/h2-3,16-17H,1H3
InChIKeyXKAVRNIJIADLBA-UHFFFAOYSA-N
MW245.17 g/mol
LogP3.14
Rot. Bonds1

About 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol

2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol (PubChem CID 18457400) has the molecular formula C11H7F4NO and a molecular weight of 245.17 g/mol. Its IUPAC name is 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol.

Molecular Properties

Compound Name2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol
PubChem CID18457400
Molecular FormulaC11H7F4NO
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Name2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol
SMILESCNc1c(F)c(F)cc2c(O)c(F)c(F)cc12
InChIInChI=1S/C11H7F4NO/c1-16-10-4-2-7(13)9(15)11(17)5(4)3-6(12)8(10)14/h2-3,16-17H,1H3
InChIKeyXKAVRNIJIADLBA-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol?
The IUPAC name of 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol (CID 18457400) is 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol.
What is the SMILES notation for 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol?
The canonical SMILES for 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol is CNc1c(F)c(F)cc2c(O)c(F)c(F)cc12.
What is the InChIKey of 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol?
The InChIKey is XKAVRNIJIADLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO/c1-16-10-4-2-7(13)9(15)11(17)5(4)3-6(12)8(10)14/h2-3,16-17H,1H3.
What are the key properties of 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol?
2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol has a molecular weight of 245.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrafluoro-5-(methylamino)naphthalen-1-ol is sourced from PubChem (CID 18457400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).