4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline

C15H22FN — CID 142522948

IUPAC4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1c(C(C)C)cc(F)cc1C(C)C
InChIInChI=1S/C15H22FN/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)17-11(5)6/h7-10,17H,5H2,1-4,6H3
InChIKeyZZVCCTBOUZRBHG-UHFFFAOYSA-N
MW235.35 g/mol
LogP5.02
Rot. Bonds4

About 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline

4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline (PubChem CID 142522948) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline
PubChem CID142522948
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1c(C(C)C)cc(F)cc1C(C)C
InChIInChI=1S/C15H22FN/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)17-11(5)6/h7-10,17H,5H2,1-4,6H3
InChIKeyZZVCCTBOUZRBHG-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.35
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline?
The IUPAC name of 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline (CID 142522948) is 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline?
The canonical SMILES for 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline is C=C(C)Nc1c(C(C)C)cc(F)cc1C(C)C.
What is the InChIKey of 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline?
The InChIKey is ZZVCCTBOUZRBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)17-11(5)6/h7-10,17H,5H2,1-4,6H3.
What are the key properties of 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline?
4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline has a molecular weight of 235.35 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 142522948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).