1-fluoro-2-methyl-4-non-1-ynylbenzene

C16H21F — CID 146003504

IUPAC1-fluoro-2-methyl-4-non-1-ynylbenzene
SMILESCCCCCCCC#Cc1ccc(F)c(C)c1
InChIInChI=1S/C16H21F/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13H,3-8H2,1-2H3
InChIKeyAEBKFKXVAJZCOQ-UHFFFAOYSA-N
MW232.34 g/mol
LogP4.85
Rot. Bonds5

About 1-fluoro-2-methyl-4-non-1-ynylbenzene

1-fluoro-2-methyl-4-non-1-ynylbenzene (PubChem CID 146003504) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-non-1-ynylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-non-1-ynylbenzene
PubChem CID146003504
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name1-fluoro-2-methyl-4-non-1-ynylbenzene
SMILESCCCCCCCC#Cc1ccc(F)c(C)c1
InChIInChI=1S/C16H21F/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13H,3-8H2,1-2H3
InChIKeyAEBKFKXVAJZCOQ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

4-hept-1-ynyl-1,2-dimethylbenzene
CID 146003285
1-chloro-4-dodec-1-ynylbenzene
CID 146003040
2-chloro-4-dodec-1-ynyl-1-methylbenzene
CID 146002939
1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
CID 146003506
ethane;methyl 2-methyl-4-oct-1-ynylbenzoate
CID 144791153
1,2,4-trimethyl-5-oct-1-ynylbenzene
CID 146003804
3-(4-fluoro-3-methylphenyl)prop-2-ynyl propanoate
CID 146003499
tridec-1-ynylbenzene
CID 19991064
1-bromo-3-non-1-ynylbenzene
CID 155367802
2,7-bis(dodec-1-ynyl)-[1]benzoselenolo[3,2-b][1]benzoselenole
CID 59181287
ethane;non-1-ynylbenzene
CID 143616673
1-butoxy-4-[2-(4-oct-1-ynylphenyl)ethynyl]benzene
CID 67827476

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-non-1-ynylbenzene?
The IUPAC name of 1-fluoro-2-methyl-4-non-1-ynylbenzene (CID 146003504) is 1-fluoro-2-methyl-4-non-1-ynylbenzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-non-1-ynylbenzene?
The canonical SMILES for 1-fluoro-2-methyl-4-non-1-ynylbenzene is CCCCCCCC#Cc1ccc(F)c(C)c1.
What is the InChIKey of 1-fluoro-2-methyl-4-non-1-ynylbenzene?
The InChIKey is AEBKFKXVAJZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-4-non-1-ynylbenzene?
1-fluoro-2-methyl-4-non-1-ynylbenzene has a molecular weight of 232.34 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-non-1-ynylbenzene is sourced from PubChem (CID 146003504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).