5-chloro-3-fluoro-2-methylaniline

C7H7ClFN — CID 18727792

IUPAC5-chloro-3-fluoro-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1F
InChIInChI=1S/C7H7ClFN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKeyIHXGCXNAYAVADE-UHFFFAOYSA-N
MW159.59 g/mol
LogP2.37
Rot. Bonds

About 5-chloro-3-fluoro-2-methylaniline

5-chloro-3-fluoro-2-methylaniline (PubChem CID 18727792) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-methylaniline
PubChem CID18727792
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name5-chloro-3-fluoro-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1F
InChIInChI=1S/C7H7ClFN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKeyIHXGCXNAYAVADE-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.59
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2,5-dimethylaniline
CID 55289526
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
3-amino-5-fluoro-4-methylphenol
CID 131277286
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
5-chloro-3-methoxy-2-methylaniline
CID 97179579
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
2-chloro-4-fluoro-3-methylaniline
CID 13251510
4-chloro-2,6-difluoro-N-methylaniline
CID 21161260
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-methylaniline?
The IUPAC name of 5-chloro-3-fluoro-2-methylaniline (CID 18727792) is 5-chloro-3-fluoro-2-methylaniline.
What is the SMILES notation for 5-chloro-3-fluoro-2-methylaniline?
The canonical SMILES for 5-chloro-3-fluoro-2-methylaniline is Cc1c(N)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-methylaniline?
The InChIKey is IHXGCXNAYAVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-methylaniline?
5-chloro-3-fluoro-2-methylaniline has a molecular weight of 159.59 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-methylaniline is sourced from PubChem (CID 18727792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).