5-chloro-2-fluoro-N,4-dimethylaniline

C8H9ClFN — CID 131225434

IUPAC5-chloro-2-fluoro-N,4-dimethylaniline
SMILESCNc1cc(Cl)c(C)cc1F
InChIInChI=1S/C8H9ClFN/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,1-2H3
InChIKeyPIJUXTJSFYCCPG-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.83
Rot. Bonds1

About 5-chloro-2-fluoro-N,4-dimethylaniline

5-chloro-2-fluoro-N,4-dimethylaniline (PubChem CID 131225434) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N,4-dimethylaniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N,4-dimethylaniline
PubChem CID131225434
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name5-chloro-2-fluoro-N,4-dimethylaniline
SMILESCNc1cc(Cl)c(C)cc1F
InChIInChI=1S/C8H9ClFN/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,1-2H3
InChIKeyPIJUXTJSFYCCPG-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N,2,4-trimethylaniline;ethane
CID 145268863
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CID 143098609
5-cyclopropyl-2-fluoro-N,4-dimethylaniline
CID 166728321
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1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
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CID 168540424
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
(5-chloro-2-fluoro-4-methylphenyl)-trimethylsilane
CID 131066790
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
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2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N,4-dimethylaniline?
The IUPAC name of 5-chloro-2-fluoro-N,4-dimethylaniline (CID 131225434) is 5-chloro-2-fluoro-N,4-dimethylaniline.
What is the SMILES notation for 5-chloro-2-fluoro-N,4-dimethylaniline?
The canonical SMILES for 5-chloro-2-fluoro-N,4-dimethylaniline is CNc1cc(Cl)c(C)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N,4-dimethylaniline?
The InChIKey is PIJUXTJSFYCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4,11H,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N,4-dimethylaniline?
5-chloro-2-fluoro-N,4-dimethylaniline has a molecular weight of 173.62 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N,4-dimethylaniline is sourced from PubChem (CID 131225434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).