4-fluoro-3-(3-fluorophenyl)-N-methylaniline

C13H11F2N — CID 138653401

IUPAC4-fluoro-3-(3-fluorophenyl)-N-methylaniline
SMILESCNc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11F2N/c1-16-11-5-6-13(15)12(8-11)9-3-2-4-10(14)7-9/h2-8,16H,1H3
InChIKeyXNUDABUMZCKKHE-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.67
Rot. Bonds2

About 4-fluoro-3-(3-fluorophenyl)-N-methylaniline

4-fluoro-3-(3-fluorophenyl)-N-methylaniline (PubChem CID 138653401) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-3-(3-fluorophenyl)-N-methylaniline
PubChem CID138653401
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name4-fluoro-3-(3-fluorophenyl)-N-methylaniline
SMILESCNc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11F2N/c1-16-11-5-6-13(15)12(8-11)9-3-2-4-10(14)7-9/h2-8,16H,1H3
InChIKeyXNUDABUMZCKKHE-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
3-fluoro-N-methylaniline
CID 2759011
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
3,4-difluoro-N-methylaniline;ethane
CID 143398651
2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142555933

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-fluoro-3-(3-fluorophenyl)-N-methylaniline (CID 138653401) is 4-fluoro-3-(3-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-fluoro-3-(3-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-fluoro-3-(3-fluorophenyl)-N-methylaniline is CNc1ccc(F)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-fluoro-3-(3-fluorophenyl)-N-methylaniline?
The InChIKey is XNUDABUMZCKKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-16-11-5-6-13(15)12(8-11)9-3-2-4-10(14)7-9/h2-8,16H,1H3.
What are the key properties of 4-fluoro-3-(3-fluorophenyl)-N-methylaniline?
4-fluoro-3-(3-fluorophenyl)-N-methylaniline has a molecular weight of 219.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 138653401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).