2,4-difluoro-3-(methylamino)phenol

C7H7F2NO — CID 18457325

IUPAC2,4-difluoro-3-(methylamino)phenol
SMILESCNc1c(F)ccc(O)c1F
InChIInChI=1S/C7H7F2NO/c1-10-7-4(8)2-3-5(11)6(7)9/h2-3,10-11H,1H3
InChIKeyRREFEMVNFNROEE-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.71
Rot. Bonds1

About 2,4-difluoro-3-(methylamino)phenol

2,4-difluoro-3-(methylamino)phenol (PubChem CID 18457325) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 2,4-difluoro-3-(methylamino)phenol.

Molecular Properties

Compound Name2,4-difluoro-3-(methylamino)phenol
PubChem CID18457325
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name2,4-difluoro-3-(methylamino)phenol
SMILESCNc1c(F)ccc(O)c1F
InChIInChI=1S/C7H7F2NO/c1-10-7-4(8)2-3-5(11)6(7)9/h2-3,10-11H,1H3
InChIKeyRREFEMVNFNROEE-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(methylamino)phenol?
The IUPAC name of 2,4-difluoro-3-(methylamino)phenol (CID 18457325) is 2,4-difluoro-3-(methylamino)phenol.
What is the SMILES notation for 2,4-difluoro-3-(methylamino)phenol?
The canonical SMILES for 2,4-difluoro-3-(methylamino)phenol is CNc1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-(methylamino)phenol?
The InChIKey is RREFEMVNFNROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-10-7-4(8)2-3-5(11)6(7)9/h2-3,10-11H,1H3.
What are the key properties of 2,4-difluoro-3-(methylamino)phenol?
2,4-difluoro-3-(methylamino)phenol has a molecular weight of 159.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(methylamino)phenol is sourced from PubChem (CID 18457325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).