5-(2,6-difluorophenyl)pent-4-yn-1-amine

C11H11F2N — CID 106220097

IUPAC5-(2,6-difluorophenyl)pent-4-yn-1-amine
SMILESNCCCC#Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h4,6-7H,1,3,8,14H2
InChIKeyDKSCHXNGMBNITK-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.06
Rot. Bonds2

About 5-(2,6-difluorophenyl)pent-4-yn-1-amine

5-(2,6-difluorophenyl)pent-4-yn-1-amine (PubChem CID 106220097) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)pent-4-yn-1-amine
PubChem CID106220097
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name5-(2,6-difluorophenyl)pent-4-yn-1-amine
SMILESNCCCC#Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h4,6-7H,1,3,8,14H2
InChIKeyDKSCHXNGMBNITK-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromo-2,6-difluorophenyl)hex-5-yn-1-amine
CID 106208884
5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine
CID 106220298
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
2-(4-chlorobut-1-ynyl)-3-fluorophenol
CID 170467393
3-(2-amino-6-fluorophenyl)prop-2-yne-1-thiol
CID 169486241
6-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 106208717
1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine
CID 160625722
1-chloro-2-(3-chloroprop-1-ynyl)-3-fluorobenzene
CID 130512118
5-quinolin-8-ylpent-4-yn-1-amine
CID 106220165
6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
CID 106220016
5-(2,4,6-trimethoxyphenyl)pent-4-yn-1-amine
CID 106220248

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)pent-4-yn-1-amine?
The IUPAC name of 5-(2,6-difluorophenyl)pent-4-yn-1-amine (CID 106220097) is 5-(2,6-difluorophenyl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)pent-4-yn-1-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)pent-4-yn-1-amine is NCCCC#Cc1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)pent-4-yn-1-amine?
The InChIKey is DKSCHXNGMBNITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-10-6-4-7-11(13)9(10)5-2-1-3-8-14/h4,6-7H,1,3,8,14H2.
What are the key properties of 5-(2,6-difluorophenyl)pent-4-yn-1-amine?
5-(2,6-difluorophenyl)pent-4-yn-1-amine has a molecular weight of 195.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)pent-4-yn-1-amine is sourced from PubChem (CID 106220097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).