2-fluoro-N,3-dimethylaniline

C8H10FN — CID 50998713

IUPAC2-fluoro-N,3-dimethylaniline
SMILESCNc1cccc(C)c1F
InChIInChI=1S/C8H10FN/c1-6-4-3-5-7(10-2)8(6)9/h3-5,10H,1-2H3
InChIKeyDTUBDDHAZHNABD-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.18
Rot. Bonds1

About 2-fluoro-N,3-dimethylaniline

2-fluoro-N,3-dimethylaniline (PubChem CID 50998713) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethylaniline.

Molecular Properties

Compound Name2-fluoro-N,3-dimethylaniline
PubChem CID50998713
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-N,3-dimethylaniline
SMILESCNc1cccc(C)c1F
InChIInChI=1S/C8H10FN/c1-6-4-3-5-7(10-2)8(6)9/h3-5,10H,1-2H3
InChIKeyDTUBDDHAZHNABD-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-methyl-3-(2-methylphenyl)aniline
CID 144912363
2,3-difluoro-N-methylaniline
CID 50998712
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
N,2-dimethylaniline
CID 163768915
2-methyl-6-(methylamino)benzenethiol
CID 22120066
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
3-(chloromethyl)-2-fluoro-N-methylaniline
CID 121314539
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130589219
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
CID 130497270
2,4-difluoro-N,3-dimethylaniline
CID 134441747
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethylaniline?
The IUPAC name of 2-fluoro-N,3-dimethylaniline (CID 50998713) is 2-fluoro-N,3-dimethylaniline.
What is the SMILES notation for 2-fluoro-N,3-dimethylaniline?
The canonical SMILES for 2-fluoro-N,3-dimethylaniline is CNc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-N,3-dimethylaniline?
The InChIKey is DTUBDDHAZHNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-4-3-5-7(10-2)8(6)9/h3-5,10H,1-2H3.
What are the key properties of 2-fluoro-N,3-dimethylaniline?
2-fluoro-N,3-dimethylaniline has a molecular weight of 139.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethylaniline is sourced from PubChem (CID 50998713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).