(3,4-difluorophenyl)methylazanium

C7H8F2N+ — CID 6951691

IUPAC(3,4-difluorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1
InChIKeyPHLZUDXEBCQHKM-UHFFFAOYSA-O
MW144.14 g/mol
LogP0.71
Rot. Bonds1

About (3,4-difluorophenyl)methylazanium

(3,4-difluorophenyl)methylazanium (PubChem CID 6951691) has the molecular formula C7H8F2N+ and a molecular weight of 144.14 g/mol. Its IUPAC name is (3,4-difluorophenyl)methylazanium.

Molecular Properties

Compound Name(3,4-difluorophenyl)methylazanium
PubChem CID6951691
Molecular FormulaC7H8F2N+
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name(3,4-difluorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1
InChIKeyPHLZUDXEBCQHKM-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

(4-chloro-3-fluorophenyl)methylazanium
CID 7015596
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
(3,4-difluorophenyl)methanol
CID 522833
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
(3,4-difluorophenyl)methyl formate
CID 87852383
N,N-dichloro-1-(3,4-difluorophenyl)methanamine
CID 102529861
potassium (3,4-difluorophenyl)methyl-trifluoroboranuide
CID 82924814
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
1,2-difluoro-4-propylbenzene;methane
CID 160697343
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
CID 10488096
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)methylazanium?
The IUPAC name of (3,4-difluorophenyl)methylazanium (CID 6951691) is (3,4-difluorophenyl)methylazanium.
What is the SMILES notation for (3,4-difluorophenyl)methylazanium?
The canonical SMILES for (3,4-difluorophenyl)methylazanium is [NH3+]Cc1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)methylazanium?
The InChIKey is PHLZUDXEBCQHKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2/p+1.
What are the key properties of (3,4-difluorophenyl)methylazanium?
(3,4-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 (3,4-difluorophenyl)methylazanium is sourced from PubChem (CID 6951691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).