4-but-1-en-2-yl-2,6-difluoro-N-methylaniline

C11H13F2N — CID 170343680

IUPAC4-but-1-en-2-yl-2,6-difluoro-N-methylaniline
SMILESC=C(CC)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C11H13F2N/c1-4-7(2)8-5-9(12)11(14-3)10(13)6-8/h5-6,14H,2,4H2,1,3H3
InChIKeyHQMNXKKZNDKUNA-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.43
Rot. Bonds3

About 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline

4-but-1-en-2-yl-2,6-difluoro-N-methylaniline (PubChem CID 170343680) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-but-1-en-2-yl-2,6-difluoro-N-methylaniline
PubChem CID170343680
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name4-but-1-en-2-yl-2,6-difluoro-N-methylaniline
SMILESC=C(CC)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C11H13F2N/c1-4-7(2)8-5-9(12)11(14-3)10(13)6-8/h5-6,14H,2,4H2,1,3H3
InChIKeyHQMNXKKZNDKUNA-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline (CID 170343680) is 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline is C=C(CC)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline?
The InChIKey is HQMNXKKZNDKUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-4-7(2)8-5-9(12)11(14-3)10(13)6-8/h5-6,14H,2,4H2,1,3H3.
What are the key properties of 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline?
4-but-1-en-2-yl-2,6-difluoro-N-methylaniline has a molecular weight of 197.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 170343680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).