4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol

C9H10F3NO2 — CID 117315153

IUPAC4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
SMILESCONCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-13-5-6-2-3-7(14)4-8(6)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyPOBAIRLUDIFTSG-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.06
Rot. Bonds3

About 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol

4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol (PubChem CID 117315153) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
PubChem CID117315153
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
SMILESCONCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-13-5-6-2-3-7(14)4-8(6)9(10,11)12/h2-4,13-14H,5H2,1H3
InChIKeyPOBAIRLUDIFTSG-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol?
The IUPAC name of 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol (CID 117315153) is 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol is CONCc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol?
The InChIKey is POBAIRLUDIFTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-15-13-5-6-2-3-7(14)4-8(6)9(10,11)12/h2-4,13-14H,5H2,1H3.
What are the key properties of 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol?
4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol has a molecular weight of 221.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117315153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).