10,10,10-trifluorodec-4-yne

C10H15F3 — CID 123643318

IUPAC10,10,10-trifluorodec-4-yne
SMILESCCCC#CCCCCC(F)(F)F
InChIInChI=1S/C10H15F3/c1-2-3-4-5-6-7-8-9-10(11,12)13/h2-3,6-9H2,1H3
InChIKeyXBAWLCBIZCLMJX-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.91
Rot. Bonds4

About 10,10,10-trifluorodec-4-yne

10,10,10-trifluorodec-4-yne (PubChem CID 123643318) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 10,10,10-trifluorodec-4-yne.

Molecular Properties

Compound Name10,10,10-trifluorodec-4-yne
PubChem CID123643318
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name10,10,10-trifluorodec-4-yne
SMILESCCCC#CCCCCC(F)(F)F
InChIInChI=1S/C10H15F3/c1-2-3-4-5-6-7-8-9-10(11,12)13/h2-3,6-9H2,1H3
InChIKeyXBAWLCBIZCLMJX-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.91
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 10,10,10-trifluorodec-4-yne?
The IUPAC name of 10,10,10-trifluorodec-4-yne (CID 123643318) is 10,10,10-trifluorodec-4-yne.
What is the SMILES notation for 10,10,10-trifluorodec-4-yne?
The canonical SMILES for 10,10,10-trifluorodec-4-yne is CCCC#CCCCCC(F)(F)F.
What is the InChIKey of 10,10,10-trifluorodec-4-yne?
The InChIKey is XBAWLCBIZCLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-2-3-4-5-6-7-8-9-10(11,12)13/h2-3,6-9H2,1H3.
What are the key properties of 10,10,10-trifluorodec-4-yne?
10,10,10-trifluorodec-4-yne has a molecular weight of 192.22 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-trifluorodec-4-yne is sourced from PubChem (CID 123643318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).