2,3-difluoro-4-methylaniline;ethane

C9H13F2N — CID 145013768

IUPAC2,3-difluoro-4-methylaniline;ethane
SMILESCC.Cc1ccc(N)c(F)c1F
InChIInChI=1S/C7H7F2N.C2H6/c1-4-2-3-5(10)7(9)6(4)8;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyUMJFGAWCFSQDMQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.88
Rot. Bonds

About 2,3-difluoro-4-methylaniline;ethane

2,3-difluoro-4-methylaniline;ethane (PubChem CID 145013768) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 2,3-difluoro-4-methylaniline;ethane.

Molecular Properties

Compound Name2,3-difluoro-4-methylaniline;ethane
PubChem CID145013768
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name2,3-difluoro-4-methylaniline;ethane
SMILESCC.Cc1ccc(N)c(F)c1F
InChIInChI=1S/C7H7F2N.C2H6/c1-4-2-3-5(10)7(9)6(4)8;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyUMJFGAWCFSQDMQ-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methylaniline;ethane?
The IUPAC name of 2,3-difluoro-4-methylaniline;ethane (CID 145013768) is 2,3-difluoro-4-methylaniline;ethane.
What is the SMILES notation for 2,3-difluoro-4-methylaniline;ethane?
The canonical SMILES for 2,3-difluoro-4-methylaniline;ethane is CC.Cc1ccc(N)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methylaniline;ethane?
The InChIKey is UMJFGAWCFSQDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N.C2H6/c1-4-2-3-5(10)7(9)6(4)8;1-2/h2-3H,10H2,1H3;1-2H3.
What are the key properties of 2,3-difluoro-4-methylaniline;ethane?
2,3-difluoro-4-methylaniline;ethane has a molecular weight of 173.21 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methylaniline;ethane is sourced from PubChem (CID 145013768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).