N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine

C15H14F4N2 — CID 22968008

IUPACN,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
SMILESFc1cccc(F)c1NCCCNc1c(F)cccc1F
InChIInChI=1S/C15H14F4N2/c16-10-4-1-5-11(17)14(10)20-8-3-9-21-15-12(18)6-2-7-13(15)19/h1-2,4-7,20-21H,3,8-9H2
InChIKeyVLTKHIJJTABJAA-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.16
Rot. Bonds6

About N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine

N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine (PubChem CID 22968008) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
PubChem CID22968008
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
SMILESFc1cccc(F)c1NCCCNc1c(F)cccc1F
InChIInChI=1S/C15H14F4N2/c16-10-4-1-5-11(17)14(10)20-8-3-9-21-15-12(18)6-2-7-13(15)19/h1-2,4-7,20-21H,3,8-9H2
InChIKeyVLTKHIJJTABJAA-UHFFFAOYSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
2,6-difluoro-N-propylaniline
CID 21161523
4-(2,6-difluoroanilino)butanoic acid
CID 28974618
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
N-ethyl-2,6-difluoroaniline
CID 23270171
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
3-fluoro-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115125827
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 107597873
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine (CID 22968008) is N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine is Fc1cccc(F)c1NCCCNc1c(F)cccc1F.
What is the InChIKey of N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine?
The InChIKey is VLTKHIJJTABJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c16-10-4-1-5-11(17)14(10)20-8-3-9-21-15-12(18)6-2-7-13(15)19/h1-2,4-7,20-21H,3,8-9H2.
What are the key properties of N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine?
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine has a molecular weight of 298.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 22968008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).