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

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

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

Launch Full Analysis

Related Compounds

2,3-difluoro-N-methylnaphthalen-1-amine
CID 141091766
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol
CID 22178277
2,3,6-trifluoro-5-propan-2-ylphenol
CID 58359018
2,4-difluoro-3-(methylamino)phenol
CID 18457325
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
1,3,5-trifluoronaphthalene-2,6-diol
CID 18457184
4-chloro-2,6-difluoro-N-methylaniline
CID 21161260
2,3,4-trifluoro-6-methylphenol
CID 54304883
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
3,4,5-trifluorophenol
CID 2777943

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).