2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine

C12H18F2N2 — CID 62196418

IUPAC2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
SMILESCCCCC(C)Nc1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h6-8,16H,3-5,15H2,1-2H3
InChIKeyIEPQLIQHHPFMSU-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.54
Rot. Bonds5

About 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine

2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine (PubChem CID 62196418) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
PubChem CID62196418
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine
SMILESCCCCC(C)Nc1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h6-8,16H,3-5,15H2,1-2H3
InChIKeyIEPQLIQHHPFMSU-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-hexan-2-yl-4-nitroaniline
CID 114048000
3,5-difluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 81285443
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
ethyl 5-amino-3-chloro-2-(hexan-2-ylamino)benzoate
CID 107195614
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221
4-bromo-2,6-difluoro-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534853

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine (CID 62196418) is 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine is CCCCC(C)Nc1c(F)cc(N)cc1F.
What is the InChIKey of 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine?
The InChIKey is IEPQLIQHHPFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h6-8,16H,3-5,15H2,1-2H3.
What are the key properties of 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine?
2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine has a molecular weight of 228.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-hexan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 62196418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).