1-bromo-3-fluoropent-1-yne

C5H6BrF — CID 165403622

IUPAC1-bromo-3-fluoropent-1-yne
SMILESCCC(F)C#CBr
InChIInChI=1S/C5H6BrF/c1-2-5(7)3-4-6/h5H,2H2,1H3
InChIKeyZHSDTXSCYIXXOP-UHFFFAOYSA-N
MW165.00 g/mol
LogP2.09
Rot. Bonds1

About 1-bromo-3-fluoropent-1-yne

1-bromo-3-fluoropent-1-yne (PubChem CID 165403622) has the molecular formula C5H6BrF and a molecular weight of 165.00 g/mol. Its IUPAC name is 1-bromo-3-fluoropent-1-yne.

Molecular Properties

Compound Name1-bromo-3-fluoropent-1-yne
PubChem CID165403622
Molecular FormulaC5H6BrF
Molecular Weight165.00 g/mol
Exact Mass163.96
IUPAC Name1-bromo-3-fluoropent-1-yne
SMILESCCC(F)C#CBr
InChIInChI=1S/C5H6BrF/c1-2-5(7)3-4-6/h5H,2H2,1H3
InChIKeyZHSDTXSCYIXXOP-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 52.09
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-bromopent-1-yne-3-thiol
CID 57313006
3-fluoropent-1-yne
CID 91592004
1-bromo-3-ethylhept-1-yne
CID 170897896
1-bromopent-1-yn-3-yl formate
CID 54042490
(3S,4S)-3,4-dibromohexane
CID 98087028
3-ethyl-1,1-difluoropentane
CID 121258317
1-fluoropropan-1-amine
CID 18761775
1,2,4-trifluorohexane
CID 54469052
1,1,1-tribromo-2-(tribromomethyl)butane
CID 54380667
1-chloro-1-fluoropropane;hydrofluoride
CID 174905950
1-fluoropropan-1-amine;hydrochloride
CID 173116737
(3R,5R)-heptane-3,5-diol
CID 12641368

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoropent-1-yne?
The IUPAC name of 1-bromo-3-fluoropent-1-yne (CID 165403622) is 1-bromo-3-fluoropent-1-yne.
What is the SMILES notation for 1-bromo-3-fluoropent-1-yne?
The canonical SMILES for 1-bromo-3-fluoropent-1-yne is CCC(F)C#CBr.
What is the InChIKey of 1-bromo-3-fluoropent-1-yne?
The InChIKey is ZHSDTXSCYIXXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF/c1-2-5(7)3-4-6/h5H,2H2,1H3.
What are the key properties of 1-bromo-3-fluoropent-1-yne?
1-bromo-3-fluoropent-1-yne has a molecular weight of 165.00 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoropent-1-yne is sourced from PubChem (CID 165403622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).