1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine

C9H8F5NO — CID 82711123

IUPAC1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFc1cccc(CNOCC(F)(F)F)c1F
InChIInChI=1S/C9H8F5NO/c10-7-3-1-2-6(8(7)11)4-15-16-5-9(12,13)14/h1-3,15H,4-5H2
InChIKeyILNMCEGNECLYSU-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.55
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711123) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711123
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFc1cccc(CNOCC(F)(F)F)c1F
InChIInChI=1S/C9H8F5NO/c10-7-3-1-2-6(8(7)11)4-15-16-5-9(12,13)14/h1-3,15H,4-5H2
InChIKeyILNMCEGNECLYSU-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.55
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

1-(2-bromo-3-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722991
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1-(2-bromo-3-nitrophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 114048755
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82723098
1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 105371326
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
2-fluoro-6-[(phenylmethoxyamino)methyl]phenol
CID 82622904
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
1-(4-methylsulfanylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712799
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711123) is 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine is Fc1cccc(CNOCC(F)(F)F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is ILNMCEGNECLYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-7-3-1-2-6(8(7)11)4-15-16-5-9(12,13)14/h1-3,15H,4-5H2.
What are the key properties of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 241.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).