1-(2,4-difluorophenyl)-N-fluoromethanamine

C7H6F3N — CID 142839769

IUPAC1-(2,4-difluorophenyl)-N-fluoromethanamine
SMILESFNCc1ccc(F)cc1F
InChIInChI=1S/C7H6F3N/c8-6-2-1-5(4-11-10)7(9)3-6/h1-3,11H,4H2
InChIKeyKWYWAEDANPGOTD-UHFFFAOYSA-N
MW161.13 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,4-difluorophenyl)-N-fluoromethanamine

1-(2,4-difluorophenyl)-N-fluoromethanamine (PubChem CID 142839769) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-fluoromethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-fluoromethanamine
PubChem CID142839769
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name1-(2,4-difluorophenyl)-N-fluoromethanamine
SMILESFNCc1ccc(F)cc1F
InChIInChI=1S/C7H6F3N/c8-6-2-1-5(4-11-10)7(9)3-6/h1-3,11H,4H2
InChIKeyKWYWAEDANPGOTD-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 58696093
CID 58696093
(2,4-difluorophenyl)methylcarbamic acid
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3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
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CID 115191832
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
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CID 43221741

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-fluoromethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-fluoromethanamine (CID 142839769) is 1-(2,4-difluorophenyl)-N-fluoromethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-fluoromethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-fluoromethanamine is FNCc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-fluoromethanamine?
The InChIKey is KWYWAEDANPGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c8-6-2-1-5(4-11-10)7(9)3-6/h1-3,11H,4H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-fluoromethanamine?
1-(2,4-difluorophenyl)-N-fluoromethanamine has a molecular weight of 161.13 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-fluoromethanamine is sourced from PubChem (CID 142839769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).