3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine

C8H11FN2 — CID 69472911

IUPAC3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1cccc(F)c1NC
InChIInChI=1S/C8H11FN2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10-11H,1-2H3
InChIKeyKCTHRGCLINAZQO-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.91
Rot. Bonds2

About 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine

3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 69472911) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID69472911
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1cccc(F)c1NC
InChIInChI=1S/C8H11FN2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10-11H,1-2H3
InChIKeyKCTHRGCLINAZQO-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methylaniline
CID 50998712
2-bromo-6-fluoro-N-methylaniline
CID 21161540
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
2-ethyl-6-fluoro-N-methylaniline
CID 22769633
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
2-fluoro-N,3-dimethylaniline
CID 50998713
2-butyl-6-fluoro-N-methylaniline
CID 22769598
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide
CID 144693877
2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine (CID 69472911) is 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine is CNc1cccc(F)c1NC.
What is the InChIKey of 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is KCTHRGCLINAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10-11H,1-2H3.
What are the key properties of 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine?
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 154.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 69472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).