8-fluorooct-1-yne

C8H13F — CID 9854

IUPAC8-fluorooct-1-yne
SMILESC#CCCCCCCF
InChIInChI=1S/C8H13F/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
InChIKeyZNVKRVWGRGBKGK-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.54
Rot. Bonds5

About 8-fluorooct-1-yne

8-fluorooct-1-yne (PubChem CID 9854) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 8-fluorooct-1-yne.

Molecular Properties

Compound Name8-fluorooct-1-yne
PubChem CID9854
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name8-fluorooct-1-yne
SMILESC#CCCCCCCF
InChIInChI=1S/C8H13F/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
InChIKeyZNVKRVWGRGBKGK-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.54
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

1,8-Nonadiyne
CID 16969
1-Nonyne, 9-fluoro-
CID 10030
1-Heptyne, 7-fluoro-
CID 9612
3-Fluorooct-1-yne
CID 14077245
Fluorocyclooctyne
CID 87428991
1-Fluoronon-2-yne
CID 141421435
3-Fluorododec-1-yne
CID 11137812
(3R)-3-fluorododec-1-yne
CID 25111627
10-Fluorodec-1-yne
CID 86175475
(3S)-3-fluorododec-1-yne
CID 101007283
(3S)-3-fluoroundec-1-yne
CID 101471251
2-Fluorodec-3-yne
CID 177849887

Frequently Asked Questions

What is the IUPAC name of 8-fluorooct-1-yne?
The IUPAC name of 8-fluorooct-1-yne (CID 9854) is 8-fluorooct-1-yne.
What is the SMILES notation for 8-fluorooct-1-yne?
The canonical SMILES for 8-fluorooct-1-yne is C#CCCCCCCF.
What is the InChIKey of 8-fluorooct-1-yne?
The InChIKey is ZNVKRVWGRGBKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-2-3-4-5-6-7-8-9/h1H,3-8H2.
What are the key properties of 8-fluorooct-1-yne?
8-fluorooct-1-yne has a molecular weight of 128.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooct-1-yne is sourced from PubChem (CID 9854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).