(2,4-difluorophenyl)methanediamine

C7H8F2N2 — CID 116939170

IUPAC(2,4-difluorophenyl)methanediamine
SMILESNC(N)c1ccc(F)cc1F
InChIInChI=1S/C7H8F2N2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H,10-11H2
InChIKeyWCKGPXCGRPRMTL-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.88
Rot. Bonds1

About (2,4-difluorophenyl)methanediamine

(2,4-difluorophenyl)methanediamine (PubChem CID 116939170) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2,4-difluorophenyl)methanediamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)methanediamine
PubChem CID116939170
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name(2,4-difluorophenyl)methanediamine
SMILESNC(N)c1ccc(F)cc1F
InChIInChI=1S/C7H8F2N2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H,10-11H2
InChIKeyWCKGPXCGRPRMTL-UHFFFAOYSA-N
XLogP0.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(2,4-difluorophenyl)methanediol
CID 91089962
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methanediamine?
The IUPAC name of (2,4-difluorophenyl)methanediamine (CID 116939170) is (2,4-difluorophenyl)methanediamine.
What is the SMILES notation for (2,4-difluorophenyl)methanediamine?
The canonical SMILES for (2,4-difluorophenyl)methanediamine is NC(N)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methanediamine?
The InChIKey is WCKGPXCGRPRMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H,10-11H2.
What are the key properties of (2,4-difluorophenyl)methanediamine?
(2,4-difluorophenyl)methanediamine has a molecular weight of 158.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methanediamine is sourced from PubChem (CID 116939170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).