2-chloro-6-fluoro-N,3-dimethylaniline

C8H9ClFN — CID 174640789

IUPAC2-chloro-6-fluoro-N,3-dimethylaniline
SMILESCNc1c(F)ccc(C)c1Cl
InChIInChI=1S/C8H9ClFN/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4,11H,1-2H3
InChIKeyUNBOZPZIVMAFLQ-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.83
Rot. Bonds1

About 2-chloro-6-fluoro-N,3-dimethylaniline

2-chloro-6-fluoro-N,3-dimethylaniline (PubChem CID 174640789) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N,3-dimethylaniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N,3-dimethylaniline
PubChem CID174640789
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-chloro-6-fluoro-N,3-dimethylaniline
SMILESCNc1c(F)ccc(C)c1Cl
InChIInChI=1S/C8H9ClFN/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4,11H,1-2H3
InChIKeyUNBOZPZIVMAFLQ-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

N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
2-chloro-6-fluoro-3-methylbenzenethiol
CID 118991446
4-chloro-2,6-difluoro-N-methylaniline
CID 21161260
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
3-fluoro-N,6-dimethyl-2-nitroaniline
CID 130936724
3-chloro-1-fluoro-4-methyl-2-phenylbenzene
CID 166546525
2-chloro-1-fluoro-3-iodo-4-methylbenzene
CID 130951000
6-chloro-N,2,3-trimethylaniline
CID 131129366
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
2,4-difluoro-3-(methylamino)phenol
CID 18457325
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N,3-dimethylaniline?
The IUPAC name of 2-chloro-6-fluoro-N,3-dimethylaniline (CID 174640789) is 2-chloro-6-fluoro-N,3-dimethylaniline.
What is the SMILES notation for 2-chloro-6-fluoro-N,3-dimethylaniline?
The canonical SMILES for 2-chloro-6-fluoro-N,3-dimethylaniline is CNc1c(F)ccc(C)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N,3-dimethylaniline?
The InChIKey is UNBOZPZIVMAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4,11H,1-2H3.
What are the key properties of 2-chloro-6-fluoro-N,3-dimethylaniline?
2-chloro-6-fluoro-N,3-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 2-chloro-6-fluoro-N,3-dimethylaniline is sourced from PubChem (CID 174640789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).