1-(2,5-difluorophenyl)pent-1-yn-3-amine

C11H11F2N — CID 106225731

IUPAC1-(2,5-difluorophenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N/c1-2-10(14)5-3-8-7-9(12)4-6-11(8)13/h4,6-7,10H,2,14H2,1H3
InChIKeyAYFBQAWNTPFOTB-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.05
Rot. Bonds1

About 1-(2,5-difluorophenyl)pent-1-yn-3-amine

1-(2,5-difluorophenyl)pent-1-yn-3-amine (PubChem CID 106225731) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)pent-1-yn-3-amine
PubChem CID106225731
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name1-(2,5-difluorophenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N/c1-2-10(14)5-3-8-7-9(12)4-6-11(8)13/h4,6-7,10H,2,14H2,1H3
InChIKeyAYFBQAWNTPFOTB-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-(2-chloro-5-fluorophenyl)hex-1-yn-3-amine
CID 106226109
1-(4-fluoro-2,6-dimethylphenyl)pent-1-yn-3-amine
CID 106226464
1-(2,6-difluoro-4-methoxyphenyl)pent-1-yn-3-amine
CID 106226309
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
CID 23006406
1-fluoro-4-methyl-2-(3-methylbut-1-ynyl)benzene;methanamine
CID 145479621
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,4,6-trifluorophenyl)hex-1-yn-3-amine
CID 106226274
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
CID 141001836
1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
CID 106226030
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
1-(furan-2-yl)pent-1-yn-3-amine
CID 106225778

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)pent-1-yn-3-amine?
The IUPAC name of 1-(2,5-difluorophenyl)pent-1-yn-3-amine (CID 106225731) is 1-(2,5-difluorophenyl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)pent-1-yn-3-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)pent-1-yn-3-amine is CCC(N)C#Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)pent-1-yn-3-amine?
The InChIKey is AYFBQAWNTPFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-2-10(14)5-3-8-7-9(12)4-6-11(8)13/h4,6-7,10H,2,14H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)pent-1-yn-3-amine?
1-(2,5-difluorophenyl)pent-1-yn-3-amine has a molecular weight of 195.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)pent-1-yn-3-amine is sourced from PubChem (CID 106225731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).