2-deuterio-4-fluoro-N,N-dimethylaniline

C8H10FN — CID 146161763

IUPAC2-deuterio-4-fluoro-N,N-dimethylaniline
SMILES[2H]c1cc(F)ccc1N(C)C
InChIInChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D
InChIKeyYJEHCGOJNJUOII-UICOGKGYSA-N
MW140.18 g/mol
LogP1.89
Rot. Bonds1

About 2-deuterio-4-fluoro-N,N-dimethylaniline

2-deuterio-4-fluoro-N,N-dimethylaniline (PubChem CID 146161763) has the molecular formula C8H10FN and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-deuterio-4-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-deuterio-4-fluoro-N,N-dimethylaniline
PubChem CID146161763
Molecular FormulaC8H10FN
Molecular Weight140.18 g/mol
Exact Mass140.09
IUPAC Name2-deuterio-4-fluoro-N,N-dimethylaniline
SMILES[2H]c1cc(F)ccc1N(C)C
InChIInChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D
InChIKeyYJEHCGOJNJUOII-UICOGKGYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-deuterio-4-fluoro-N,N-dimethylaniline (CID 146161763) is 2-deuterio-4-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-deuterio-4-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-deuterio-4-fluoro-N,N-dimethylaniline is [2H]c1cc(F)ccc1N(C)C.
What is the InChIKey of 2-deuterio-4-fluoro-N,N-dimethylaniline?
The InChIKey is YJEHCGOJNJUOII-UICOGKGYSA-N. The full InChI is InChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D.
What are the key properties of 2-deuterio-4-fluoro-N,N-dimethylaniline?
2-deuterio-4-fluoro-N,N-dimethylaniline has a molecular weight of 140.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 146161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).