4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine

C11H11F2N — CID 63997891

IUPAC4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N/c1-11(2,14)6-5-8-3-4-9(12)7-10(8)13/h3-4,7H,14H2,1-2H3
InChIKeyXHYKAVQNYJDNJP-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.05
Rot. Bonds

About 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine

4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine (PubChem CID 63997891) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
PubChem CID63997891
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N/c1-11(2,14)6-5-8-3-4-9(12)7-10(8)13/h3-4,7H,14H2,1-2H3
InChIKeyXHYKAVQNYJDNJP-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-2-methylphenyl)-2-methylbut-3-yn-2-amine
CID 63997278
4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63997086
4-(3,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997889
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
CID 23006406
4-(2-fluoro-3-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 82811565
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]-2-methylbut-3-yn-2-ol
CID 135307691
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
4-(5-chloro-2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63996865
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003482
1-bromo-3-[2-(2,4-difluorophenyl)ethynyl]-2,4-difluorobenzene
CID 71089903
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine (CID 63997891) is 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine is CC(C)(N)C#Cc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine?
The InChIKey is XHYKAVQNYJDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-11(2,14)6-5-8-3-4-9(12)7-10(8)13/h3-4,7H,14H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine?
4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine has a molecular weight of 195.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).