14,14,14-trifluorotetradec-1-yne

C14H23F3 — CID 54531014

IUPAC14,14,14-trifluorotetradec-1-yne
SMILESC#CCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C14H23F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h1H,3-13H2
InChIKeyYWNSNIHAJYAVGE-UHFFFAOYSA-N
MW248.33 g/mol
LogP5.47
Rot. Bonds10

About 14,14,14-trifluorotetradec-1-yne

14,14,14-trifluorotetradec-1-yne (PubChem CID 54531014) has the molecular formula C14H23F3 and a molecular weight of 248.33 g/mol. Its IUPAC name is 14,14,14-trifluorotetradec-1-yne.

Molecular Properties

Compound Name14,14,14-trifluorotetradec-1-yne
PubChem CID54531014
Molecular FormulaC14H23F3
Molecular Weight248.33 g/mol
Exact Mass248.18
IUPAC Name14,14,14-trifluorotetradec-1-yne
SMILESC#CCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C14H23F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h1H,3-13H2
InChIKeyYWNSNIHAJYAVGE-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.33
LogP ≤ 55.47
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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Frequently Asked Questions

What is the IUPAC name of 14,14,14-trifluorotetradec-1-yne?
The IUPAC name of 14,14,14-trifluorotetradec-1-yne (CID 54531014) is 14,14,14-trifluorotetradec-1-yne.
What is the SMILES notation for 14,14,14-trifluorotetradec-1-yne?
The canonical SMILES for 14,14,14-trifluorotetradec-1-yne is C#CCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 14,14,14-trifluorotetradec-1-yne?
The InChIKey is YWNSNIHAJYAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,16)17/h1H,3-13H2.
What are the key properties of 14,14,14-trifluorotetradec-1-yne?
14,14,14-trifluorotetradec-1-yne has a molecular weight of 248.33 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,14-trifluorotetradec-1-yne is sourced from PubChem (CID 54531014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).