2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol

C9H9F2NO — CID 89375592

IUPAC2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol
SMILESC=Nc1c(C)c(O)c(F)c(C)c1F
InChIInChI=1S/C9H9F2NO/c1-4-6(10)8(12-3)5(2)9(13)7(4)11/h13H,3H2,1-2H3
InChIKeyYCJCCQWVZPGOTD-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.62
Rot. Bonds1

About 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol

2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol (PubChem CID 89375592) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol.

Molecular Properties

Compound Name2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol
PubChem CID89375592
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol
SMILESC=Nc1c(C)c(O)c(F)c(C)c1F
InChIInChI=1S/C9H9F2NO/c1-4-6(10)8(12-3)5(2)9(13)7(4)11/h13H,3H2,1-2H3
InChIKeyYCJCCQWVZPGOTD-UHFFFAOYSA-N
XLogP2.62
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol?
The IUPAC name of 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol (CID 89375592) is 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol.
What is the SMILES notation for 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol?
The canonical SMILES for 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol is C=Nc1c(C)c(O)c(F)c(C)c1F.
What is the InChIKey of 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol?
The InChIKey is YCJCCQWVZPGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-4-6(10)8(12-3)5(2)9(13)7(4)11/h13H,3H2,1-2H3.
What are the key properties of 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol?
2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol has a molecular weight of 185.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3,6-dimethyl-5-(methylideneamino)phenol is sourced from PubChem (CID 89375592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).