3-fluoropent-1-yne

C5H7F — CID 91592004

IUPAC3-fluoropent-1-yne
SMILESC#CC(F)CC
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h1,5H,4H2,2H3
InChIKeyVAYLATLUHDOIAZ-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.37
Rot. Bonds1

About 3-fluoropent-1-yne

3-fluoropent-1-yne (PubChem CID 91592004) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 3-fluoropent-1-yne.

Molecular Properties

Compound Name3-fluoropent-1-yne
PubChem CID91592004
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name3-fluoropent-1-yne
SMILESC#CC(F)CC
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h1,5H,4H2,2H3
InChIKeyVAYLATLUHDOIAZ-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-fluoropent-1-yne
CID 165403622
3-ethyl-4-methylpent-1-yne
CID 15093812
3-fluorobut-1-yne;fluoromethane
CID 91026864
pent-1-yn-3-amine;hydrochloride
CID 75480843
2-ethylbut-3-yne-1-thiol
CID 57216004
cobalt;methanone;triethyl(ethynyl)phosphanium
CID 174829374
8-chloro-3-fluorooct-1-yne
CID 122369017
4-methylhex-1-yn-3-ol
CID 64914374
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
3-ethylsulfanylpent-1-yne
CID 134993506
(3R,4R)-4-methylhex-1-yn-3-amine
CID 130642169
1-fluoropropan-1-amine
CID 18761775

Frequently Asked Questions

What is the IUPAC name of 3-fluoropent-1-yne?
The IUPAC name of 3-fluoropent-1-yne (CID 91592004) is 3-fluoropent-1-yne.
What is the SMILES notation for 3-fluoropent-1-yne?
The canonical SMILES for 3-fluoropent-1-yne is C#CC(F)CC.
What is the InChIKey of 3-fluoropent-1-yne?
The InChIKey is VAYLATLUHDOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-5(6)4-2/h1,5H,4H2,2H3.
What are the key properties of 3-fluoropent-1-yne?
3-fluoropent-1-yne has a molecular weight of 86.11 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropent-1-yne is sourced from PubChem (CID 91592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).