2,4-difluoroaniline;methane

C7H9F2N — CID 155026278

IUPAC2,4-difluoroaniline;methane
SMILESC.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.CH4/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H4
InChIKeyYYKLSTGOOJYVPR-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.18
Rot. Bonds

About 2,4-difluoroaniline;methane

2,4-difluoroaniline;methane (PubChem CID 155026278) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 2,4-difluoroaniline;methane.

Molecular Properties

Compound Name2,4-difluoroaniline;methane
PubChem CID155026278
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name2,4-difluoroaniline;methane
SMILESC.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.CH4/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H4
InChIKeyYYKLSTGOOJYVPR-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoroaniline;hydrofluoride
CID 170944018
3-chloro-4-fluoroaniline;2,4-difluoroaniline
CID 161411905
2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide
CID 87852004
2-fluoro-4-(2,4,6-trifluorophenyl)aniline
CID 54912768
2,4-difluoroaniline;propan-2-yl formate
CID 174299671
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
4,7-difluoronaphthalen-1-amine
CID 115015314
2,5-difluoroaniline;ethane
CID 143759951
4-amino-3-fluorobenzonitrile;methane
CID 174516091
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
2-fluoro-4-[2-(4-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79141658
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;methane?
The IUPAC name of 2,4-difluoroaniline;methane (CID 155026278) is 2,4-difluoroaniline;methane.
What is the SMILES notation for 2,4-difluoroaniline;methane?
The canonical SMILES for 2,4-difluoroaniline;methane is C.Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoroaniline;methane?
The InChIKey is YYKLSTGOOJYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N.CH4/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H4.
What are the key properties of 2,4-difluoroaniline;methane?
2,4-difluoroaniline;methane has a molecular weight of 145.15 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroaniline;methane is sourced from PubChem (CID 155026278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).