1-fluorohex-3-yne

C6H9F — CID 54352510

IUPAC1-fluorohex-3-yne
SMILESCCC#CCCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H2,1H3
InChIKeyMRRABQONJDIQEP-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.76
Rot. Bonds1

About 1-fluorohex-3-yne

1-fluorohex-3-yne (PubChem CID 54352510) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-fluorohex-3-yne.

Molecular Properties

Compound Name1-fluorohex-3-yne
PubChem CID54352510
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name1-fluorohex-3-yne
SMILESCCC#CCCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H2,1H3
InChIKeyMRRABQONJDIQEP-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluorohex-3-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hexyne
CID 33629
2-Pentyne
CID 12310
3-Hexyne
CID 13568
Hept-3-yne
CID 75755
1-Fluoro-2-butyne
CID 10153991
t-Butylfluoro-acetylene
CID 22057036
Fluoropentyne
CID 53926333
1-Fluorobutyne
CID 86156721
Hepta-2,5-diyne
CID 13028868
2,4-Heptadiyne
CID 12278364
5-Fluoropent-2-yne
CID 18917079
4-Fluoropent-2-yne
CID 18917109

Frequently Asked Questions

What is the IUPAC name of 1-fluorohex-3-yne?
The IUPAC name of 1-fluorohex-3-yne (CID 54352510) is 1-fluorohex-3-yne.
What is the SMILES notation for 1-fluorohex-3-yne?
The canonical SMILES for 1-fluorohex-3-yne is CCC#CCCF.
What is the InChIKey of 1-fluorohex-3-yne?
The InChIKey is MRRABQONJDIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H2,1H3.
What are the key properties of 1-fluorohex-3-yne?
1-fluorohex-3-yne has a molecular weight of 100.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohex-3-yne is sourced from PubChem (CID 54352510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).