1,1,1-trifluoroundec-2-yne

C11H17F3 — CID 87327647

IUPAC1,1,1-trifluoroundec-2-yne
SMILESCCCCCCCCC#CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h2-8H2,1H3
InChIKeyHNQZOEGXTHZQFN-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.30
Rot. Bonds6

About 1,1,1-trifluoroundec-2-yne

1,1,1-trifluoroundec-2-yne (PubChem CID 87327647) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,1,1-trifluoroundec-2-yne.

Molecular Properties

Compound Name1,1,1-trifluoroundec-2-yne
PubChem CID87327647
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1,1,1-trifluoroundec-2-yne
SMILESCCCCCCCCC#CC(F)(F)F
InChIInChI=1S/C11H17F3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h2-8H2,1H3
InChIKeyHNQZOEGXTHZQFN-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.30
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

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hexacos-3-yne
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoroundec-2-yne?
The IUPAC name of 1,1,1-trifluoroundec-2-yne (CID 87327647) is 1,1,1-trifluoroundec-2-yne.
What is the SMILES notation for 1,1,1-trifluoroundec-2-yne?
The canonical SMILES for 1,1,1-trifluoroundec-2-yne is CCCCCCCCC#CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoroundec-2-yne?
The InChIKey is HNQZOEGXTHZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h2-8H2,1H3.
What are the key properties of 1,1,1-trifluoroundec-2-yne?
1,1,1-trifluoroundec-2-yne has a molecular weight of 206.25 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroundec-2-yne is sourced from PubChem (CID 87327647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).