1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine

C9H9F4NO — CID 117319008

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H9F4NO/c1-15-14-5-6-3-2-4-7(8(6)10)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyKZKTWNIKLDAPLC-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.50
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine

1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine (PubChem CID 117319008) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
PubChem CID117319008
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H9F4NO/c1-15-14-5-6-3-2-4-7(8(6)10)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyKZKTWNIKLDAPLC-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
(2S)-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 104867846
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
4-[(methoxyamino)methyl]-3-(trifluoromethyl)phenol
CID 117315153
N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine (CID 117319008) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine is CONCc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The InChIKey is KZKTWNIKLDAPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-15-14-5-6-3-2-4-7(8(6)10)9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117319008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).