(2,5-difluorophenyl)methylazanium

C7H8F2N+ — CID 6951689

IUPAC(2,5-difluorophenyl)methylazanium
SMILES[NH3+]Cc1cc(F)ccc1F
InChIInChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2/p+1
InChIKeyGDFBHCMFIUBEQT-UHFFFAOYSA-O
MW144.14 g/mol
LogP0.71
Rot. Bonds1

About (2,5-difluorophenyl)methylazanium

(2,5-difluorophenyl)methylazanium (PubChem CID 6951689) has the molecular formula C7H8F2N+ and a molecular weight of 144.14 g/mol. Its IUPAC name is (2,5-difluorophenyl)methylazanium.

Molecular Properties

Compound Name(2,5-difluorophenyl)methylazanium
PubChem CID6951689
Molecular FormulaC7H8F2N+
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name(2,5-difluorophenyl)methylazanium
SMILES[NH3+]Cc1cc(F)ccc1F
InChIInChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2/p+1
InChIKeyGDFBHCMFIUBEQT-UHFFFAOYSA-O
XLogP0.71
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1,4-difluorobenzene
CID 23202513
1,4-difluoro-2-(2-iodoethyl)benzene
CID 147661564
2-(2,5-difluorophenyl)acetate
CID 6951702
(2,5-difluorophenyl)methanesulfonyl fluoride
CID 138392013
2-(2,5-difluorophenyl)acetamide
CID 21245498
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
CID 79453351
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1,4-difluoro-2-(2-isocyanoethyl)benzene
CID 83480699
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methylazanium?
The IUPAC name of (2,5-difluorophenyl)methylazanium (CID 6951689) is (2,5-difluorophenyl)methylazanium.
What is the SMILES notation for (2,5-difluorophenyl)methylazanium?
The canonical SMILES for (2,5-difluorophenyl)methylazanium is [NH3+]Cc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methylazanium?
The InChIKey is GDFBHCMFIUBEQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2/p+1.
What are the key properties of (2,5-difluorophenyl)methylazanium?
(2,5-difluorophenyl)methylazanium has a molecular weight of 144.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methylazanium is sourced from PubChem (CID 6951689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).