3,5-difluoro-N-methylaniline

C7H7F2N — CID 16720377

IUPAC3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)cc(F)c1
InChIInChI=1S/C7H7F2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyRVLAHRBSGLXXPZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP2.01
Rot. Bonds1

About 3,5-difluoro-N-methylaniline

3,5-difluoro-N-methylaniline (PubChem CID 16720377) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is 3,5-difluoro-N-methylaniline.

Molecular Properties

Compound Name3,5-difluoro-N-methylaniline
PubChem CID16720377
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC Name3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)cc(F)c1
InChIInChI=1S/C7H7F2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyRVLAHRBSGLXXPZ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methylaniline?
The IUPAC name of 3,5-difluoro-N-methylaniline (CID 16720377) is 3,5-difluoro-N-methylaniline.
What is the SMILES notation for 3,5-difluoro-N-methylaniline?
The canonical SMILES for 3,5-difluoro-N-methylaniline is CNc1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-methylaniline?
The InChIKey is RVLAHRBSGLXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3.
What are the key properties of 3,5-difluoro-N-methylaniline?
3,5-difluoro-N-methylaniline has a molecular weight of 143.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methylaniline is sourced from PubChem (CID 16720377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).