2-chloro-4-fluoro-3-methylaniline

C7H7ClFN — CID 13251510

IUPAC2-chloro-4-fluoro-3-methylaniline
SMILESCc1c(F)ccc(N)c1Cl
InChIInChI=1S/C7H7ClFN/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,10H2,1H3
InChIKeyXAWVQZWQSQZGOG-UHFFFAOYSA-N
MW159.59 g/mol
LogP2.37
Rot. Bonds

About 2-chloro-4-fluoro-3-methylaniline

2-chloro-4-fluoro-3-methylaniline (PubChem CID 13251510) has the molecular formula C7H7ClFN and a molecular weight of 159.59 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-methylaniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-methylaniline
PubChem CID13251510
Molecular FormulaC7H7ClFN
Molecular Weight159.59 g/mol
Exact Mass159.03
IUPAC Name2-chloro-4-fluoro-3-methylaniline
SMILESCc1c(F)ccc(N)c1Cl
InChIInChI=1S/C7H7ClFN/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,10H2,1H3
InChIKeyXAWVQZWQSQZGOG-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

1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
3,4-difluoro-2-methylaniline;ethane
CID 143670035
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
CID 155858641
5-chloro-3-fluoro-2-methylaniline
CID 18727792
2-chloro-3-methyl-4-prop-1-en-2-ylaniline
CID 142115554
3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
3-bromo-4-fluoro-2-methylaniline;hydrochloride
CID 172829925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-methylaniline?
The IUPAC name of 2-chloro-4-fluoro-3-methylaniline (CID 13251510) is 2-chloro-4-fluoro-3-methylaniline.
What is the SMILES notation for 2-chloro-4-fluoro-3-methylaniline?
The canonical SMILES for 2-chloro-4-fluoro-3-methylaniline is Cc1c(F)ccc(N)c1Cl.
What is the InChIKey of 2-chloro-4-fluoro-3-methylaniline?
The InChIKey is XAWVQZWQSQZGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,10H2,1H3.
What are the key properties of 2-chloro-4-fluoro-3-methylaniline?
2-chloro-4-fluoro-3-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 2-chloro-4-fluoro-3-methylaniline is sourced from PubChem (CID 13251510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).