2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol

C9H9ClF3NO2 — CID 117391955

IUPAC2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol
SMILESCONCc1cc(Cl)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-16-14-4-5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,14-15H,4H2,1H3
InChIKeyRVSADQDMMLQUDT-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol

2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117391955) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol
PubChem CID117391955
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol
SMILESCONCc1cc(Cl)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3NO2/c1-16-14-4-5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,14-15H,4H2,1H3
InChIKeyRVSADQDMMLQUDT-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.72
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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Related Compounds

4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
CID 117315153
2-chloro-6-[(methoxyamino)methyl]-4-(trifluoromethyl)phenol
CID 117391959
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
4-amino-2-chloro-5-(trifluoromethyl)phenol
CID 131210150
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
CID 117288621
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
5-tert-butyl-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117323974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol (CID 117391955) is 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol is CONCc1cc(Cl)c(O)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is RVSADQDMMLQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-16-14-4-5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,14-15H,4H2,1H3.
What are the key properties of 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol?
2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol has a molecular weight of 255.62 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117391955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).