2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine

C15H24F2N2 — CID 115566133

IUPAC2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
SMILESCCCCCCCCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C15H24F2N2/c1-2-3-4-5-6-7-10-19-14-9-8-12(18)11-13(14)15(16)17/h8-9,11,15,19H,2-7,10,18H2,1H3
InChIKeyVHZFDUBGUJGKFU-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.98
Rot. Bonds9

About 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine

2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine (PubChem CID 115566133) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
PubChem CID115566133
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
SMILESCCCCCCCCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C15H24F2N2/c1-2-3-4-5-6-7-10-19-14-9-8-12(18)11-13(14)15(16)17/h8-9,11,15,19H,2-7,10,18H2,1H3
InChIKeyVHZFDUBGUJGKFU-UHFFFAOYSA-N
XLogP4.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
CID 115324658
2-(difluoromethyl)-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 63983332
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
2-(difluoromethyl)-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63750242
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
2-(dimethylaminosulfanyl)-1-N-octylbenzene-1,4-diamine
CID 155703052
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281
2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
CID 63734081
3-N-octadecylbenzene-1,3-diamine
CID 154090035

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine (CID 115566133) is 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine is CCCCCCCCNc1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine?
The InChIKey is VHZFDUBGUJGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-2-3-4-5-6-7-10-19-14-9-8-12(18)11-13(14)15(16)17/h8-9,11,15,19H,2-7,10,18H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine?
2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine has a molecular weight of 270.37 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine is sourced from PubChem (CID 115566133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).