1-(3-fluorobut-1-ynyl)cyclohexene

C10H13F — CID 91410356

IUPAC1-(3-fluorobut-1-ynyl)cyclohexene
SMILESCC(F)C#CC1=CCCCC1
InChIInChI=1S/C10H13F/c1-9(11)7-8-10-5-3-2-4-6-10/h5,9H,2-4,6H2,1H3
InChIKeyRGXOHFKDJTWBOJ-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.85
Rot. Bonds

About 1-(3-fluorobut-1-ynyl)cyclohexene

1-(3-fluorobut-1-ynyl)cyclohexene (PubChem CID 91410356) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 1-(3-fluorobut-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(3-fluorobut-1-ynyl)cyclohexene
PubChem CID91410356
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name1-(3-fluorobut-1-ynyl)cyclohexene
SMILESCC(F)C#CC1=CCCCC1
InChIInChI=1S/C10H13F/c1-9(11)7-8-10-5-3-2-4-6-10/h5,9H,2-4,6H2,1H3
InChIKeyRGXOHFKDJTWBOJ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobut-1-ynyl)cyclohexene?
The IUPAC name of 1-(3-fluorobut-1-ynyl)cyclohexene (CID 91410356) is 1-(3-fluorobut-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(3-fluorobut-1-ynyl)cyclohexene?
The canonical SMILES for 1-(3-fluorobut-1-ynyl)cyclohexene is CC(F)C#CC1=CCCCC1.
What is the InChIKey of 1-(3-fluorobut-1-ynyl)cyclohexene?
The InChIKey is RGXOHFKDJTWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-9(11)7-8-10-5-3-2-4-6-10/h5,9H,2-4,6H2,1H3.
What are the key properties of 1-(3-fluorobut-1-ynyl)cyclohexene?
1-(3-fluorobut-1-ynyl)cyclohexene has a molecular weight of 152.21 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobut-1-ynyl)cyclohexene is sourced from PubChem (CID 91410356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).