3-(difluoromethylidene)penta-1,4-diyne

C6H2F2 — CID 101204620

IUPAC3-(difluoromethylidene)penta-1,4-diyne
SMILESC#CC(C#C)=C(F)F
InChIInChI=1S/C6H2F2/c1-3-5(4-2)6(7)8/h1-2H
InChIKeyYRGLLDDFXUXJES-UHFFFAOYSA-N
MW112.08 g/mol
LogP1.40
Rot. Bonds

About 3-(difluoromethylidene)penta-1,4-diyne

3-(difluoromethylidene)penta-1,4-diyne (PubChem CID 101204620) has the molecular formula C6H2F2 and a molecular weight of 112.08 g/mol. Its IUPAC name is 3-(difluoromethylidene)penta-1,4-diyne.

Molecular Properties

Compound Name3-(difluoromethylidene)penta-1,4-diyne
PubChem CID101204620
Molecular FormulaC6H2F2
Molecular Weight112.08 g/mol
Exact Mass112.01
IUPAC Name3-(difluoromethylidene)penta-1,4-diyne
SMILESC#CC(C#C)=C(F)F
InChIInChI=1S/C6H2F2/c1-3-5(4-2)6(7)8/h1-2H
InChIKeyYRGLLDDFXUXJES-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 51.40
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

nonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189-pentanonacontayne
CID 123701595
hexatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45-tricosayne
CID 23590172
nonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89-pentatetracontayne
CID 58354334
fluoroethyne;fluoromethane
CID 160705399
[(Z)-3,4-diethynyl-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 14937122
(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine
CID 143518126
[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
CID 101098365
pentaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-dotetracontayne
CID 58245595
tripentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-hexacosayne
CID 20755377
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontayne
CID 21043403
1,1-difluoro-N,N-dimethylprop-1-en-2-amine
CID 134530504
hentetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239-icosahectayne
CID 59401162

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)penta-1,4-diyne?
The IUPAC name of 3-(difluoromethylidene)penta-1,4-diyne (CID 101204620) is 3-(difluoromethylidene)penta-1,4-diyne.
What is the SMILES notation for 3-(difluoromethylidene)penta-1,4-diyne?
The canonical SMILES for 3-(difluoromethylidene)penta-1,4-diyne is C#CC(C#C)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)penta-1,4-diyne?
The InChIKey is YRGLLDDFXUXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2/c1-3-5(4-2)6(7)8/h1-2H.
What are the key properties of 3-(difluoromethylidene)penta-1,4-diyne?
3-(difluoromethylidene)penta-1,4-diyne has a molecular weight of 112.08 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)penta-1,4-diyne is sourced from PubChem (CID 101204620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).