4-N-(2,2-difluoropropyl)benzene-1,4-diamine

C9H12F2N2 — CID 154216911

IUPAC4-N-(2,2-difluoropropyl)benzene-1,4-diamine
SMILESCC(F)(F)CNc1ccc(N)cc1
InChIInChI=1S/C9H12F2N2/c1-9(10,11)6-13-8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
InChIKeyXPHHLYGZAPBBFS-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.34
Rot. Bonds3

About 4-N-(2,2-difluoropropyl)benzene-1,4-diamine

4-N-(2,2-difluoropropyl)benzene-1,4-diamine (PubChem CID 154216911) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-N-(2,2-difluoropropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoropropyl)benzene-1,4-diamine
PubChem CID154216911
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-N-(2,2-difluoropropyl)benzene-1,4-diamine
SMILESCC(F)(F)CNc1ccc(N)cc1
InChIInChI=1S/C9H12F2N2/c1-9(10,11)6-13-8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
InChIKeyXPHHLYGZAPBBFS-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline
CID 84680353
1-(4-aminoanilino)propane-2,2-diol
CID 67103383
4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine
CID 23104323
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
4-N-(2-bromoethyl)benzene-1,4-diamine
CID 70360117
4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline
CID 150842460
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
tris[3-(4-aminoanilino)propyl]-methylazanium
CID 163610108
2-(4-aminoanilino)ethyl-trimethylazanium;iodide;hydrochloride
CID 22155037
4-N-(2-nitrosoethyl)benzene-1,4-diamine
CID 131970603

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoropropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,2-difluoropropyl)benzene-1,4-diamine (CID 154216911) is 4-N-(2,2-difluoropropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoropropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoropropyl)benzene-1,4-diamine is CC(F)(F)CNc1ccc(N)cc1.
What is the InChIKey of 4-N-(2,2-difluoropropyl)benzene-1,4-diamine?
The InChIKey is XPHHLYGZAPBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-9(10,11)6-13-8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3.
What are the key properties of 4-N-(2,2-difluoropropyl)benzene-1,4-diamine?
4-N-(2,2-difluoropropyl)benzene-1,4-diamine has a molecular weight of 186.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoropropyl)benzene-1,4-diamine is sourced from PubChem (CID 154216911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).