1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

C10H11F4NO — CID 105371326

IUPAC1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(F)cc1CNOCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-7-2-3-9(11)4-8(7)5-15-16-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyLNBFRUGWTPRDBE-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.72
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 105371326) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID105371326
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(F)cc1CNOCC(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-7-2-3-9(11)4-8(7)5-15-16-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyLNBFRUGWTPRDBE-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)benzylamine
CID 76447
(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine
CID 2774790
(1S)-1-(2-(Trifluoromethyl)phenyl)ethylamine
CID 7023582
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
(4-Fluoro-2-(trifluoromethyl)phenyl)methanamine
CID 2734878
[2-[2-(4-Fluorophenyl)perfluoroethyl]phenyl]methanamine
CID 20372272
5-Fluoro-2-(trifluoromethyl)benzylamine
CID 2737568
5-Fluoro-2-methylbenzylamine
CID 2774601
(1R)-1-(2-(Trifluoromethyl)phenyl)ethylamine
CID 2782450
4-Fluoro-2-methylbenzylamine
CID 3460457
3-Fluoro-2-(trifluoromethyl)benzenemethanamine
CID 20112155

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 105371326) is 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1ccc(F)cc1CNOCC(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is LNBFRUGWTPRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-7-2-3-9(11)4-8(7)5-15-16-6-10(12,13)14/h2-4,15H,5-6H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 237.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 105371326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).