4-(4-fluorophenyl)but-3-yn-1-amine

C10H10FN — CID 116641342

IUPAC4-(4-fluorophenyl)but-3-yn-1-amine
SMILESNCCC#Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,2,8,12H2
InChIKeyGKTPSHGRKJSHPW-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.53
Rot. Bonds1

About 4-(4-fluorophenyl)but-3-yn-1-amine

4-(4-fluorophenyl)but-3-yn-1-amine (PubChem CID 116641342) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)but-3-yn-1-amine
PubChem CID116641342
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name4-(4-fluorophenyl)but-3-yn-1-amine
SMILESNCCC#Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,2,8,12H2
InChIKeyGKTPSHGRKJSHPW-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.53
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-chlorophenyl)but-3-yn-1-amine
CID 116641356
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
CID 116641360
4-(4-butan-2-ylphenyl)but-3-yn-1-amine
CID 116641477
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
4-[4-(2-methoxyethyl)phenyl]but-3-yn-1-amine
CID 116641483
(1R,6S)-7-[6-(4-fluorophenyl)hex-5-ynyl]-7-azabicyclo[4.1.0]heptane-2,3,4,5-tetrol
CID 156624249
but-3-yn-1-amine;ethanamine;ethane;methane;4-(4-methylphenyl)but-3-yn-1-amine;1,4-xylene
CID 157061840
4-(5-fluoro-2-methoxyphenyl)but-3-yn-1-amine
CID 116641453
3-[12-(4-fluorophenyl)dodec-11-ynylsulfanyl]propan-1-ol
CID 162744328

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)but-3-yn-1-amine?
The IUPAC name of 4-(4-fluorophenyl)but-3-yn-1-amine (CID 116641342) is 4-(4-fluorophenyl)but-3-yn-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)but-3-yn-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)but-3-yn-1-amine is NCCC#Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)but-3-yn-1-amine?
The InChIKey is GKTPSHGRKJSHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,2,8,12H2.
What are the key properties of 4-(4-fluorophenyl)but-3-yn-1-amine?
4-(4-fluorophenyl)but-3-yn-1-amine has a molecular weight of 163.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)but-3-yn-1-amine is sourced from PubChem (CID 116641342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).