1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine

C10H14F2N2 — CID 115506451

IUPAC1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
SMILESCCC(C)Nc1cc(F)cc(F)c1N
InChIInChI=1S/C10H14F2N2/c1-3-6(2)14-9-5-7(11)4-8(12)10(9)13/h4-6,14H,3,13H2,1-2H3
InChIKeyIUGWKQQBLLOLLW-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.76
Rot. Bonds3

About 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine

1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine (PubChem CID 115506451) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
PubChem CID115506451
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
SMILESCCC(C)Nc1cc(F)cc(F)c1N
InChIInChI=1S/C10H14F2N2/c1-3-6(2)14-9-5-7(11)4-8(12)10(9)13/h4-6,14H,3,13H2,1-2H3
InChIKeyIUGWKQQBLLOLLW-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.76
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

1-N-[4-(dimethylamino)butan-2-yl]-3,5-difluorobenzene-1,2-diamine
CID 115506768
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
N-butan-2-yl-3,5-difluoroaniline
CID 43196032
3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79677016
3,5-difluoro-1-N-(4-methylpentyl)benzene-1,2-diamine
CID 115506964
3,5-difluoro-1-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 114139257
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506549
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79678033
3,5-difluoro-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113325255
2,4-difluoro-6-methylsulfanylaniline
CID 115507618

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine (CID 115506451) is 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine is CCC(C)Nc1cc(F)cc(F)c1N.
What is the InChIKey of 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine?
The InChIKey is IUGWKQQBLLOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-3-6(2)14-9-5-7(11)4-8(12)10(9)13/h4-6,14H,3,13H2,1-2H3.
What are the key properties of 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine?
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 115506451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).