5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine

C15H14FN — CID 106220298

IUPAC5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine
SMILESNCCCC#Cc1ccc(F)c2ccccc12
InChIInChI=1S/C15H14FN/c16-15-10-9-12(6-2-1-5-11-17)13-7-3-4-8-14(13)15/h3-4,7-10H,1,5,11,17H2
InChIKeyURQUWZSVFAQAFC-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.07
Rot. Bonds2

About 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine

5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine (PubChem CID 106220298) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine
PubChem CID106220298
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine
SMILESNCCCC#Cc1ccc(F)c2ccccc12
InChIInChI=1S/C15H14FN/c16-15-10-9-12(6-2-1-5-11-17)13-7-3-4-8-14(13)15/h3-4,7-10H,1,5,11,17H2
InChIKeyURQUWZSVFAQAFC-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.07
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-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 106208717
5-(2,6-difluorophenyl)pent-4-yn-1-amine
CID 106220097
5-[2-methyl-4-(trifluoromethyl)phenyl]pent-4-yn-1-amine
CID 106220221
6-[2-(trifluoromethoxy)phenyl]hex-5-yn-1-amine
CID 114158372
1-hex-1-ynylnaphthalene
CID 11769709
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline
CID 10802293
5-quinolin-8-ylpent-4-yn-1-amine
CID 106220165
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
3-(4-methoxynaphthalen-1-yl)prop-2-yn-1-amine
CID 60801670
5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
CID 106220016
6-(3-bromo-2,6-difluorophenyl)hex-5-yn-1-amine
CID 106208884

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine?
The IUPAC name of 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine (CID 106220298) is 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine?
The canonical SMILES for 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine is NCCCC#Cc1ccc(F)c2ccccc12.
What is the InChIKey of 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine?
The InChIKey is URQUWZSVFAQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-15-10-9-12(6-2-1-5-11-17)13-7-3-4-8-14(13)15/h3-4,7-10H,1,5,11,17H2.
What are the key properties of 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine?
5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine has a molecular weight of 227.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine is sourced from PubChem (CID 106220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).