3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne

C10H2F12 — CID 12769960

IUPAC3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne
SMILESC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#C
InChIInChI=1S/C10H2F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h1-2H
InChIKeyAMGOALNXHWUMGS-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.06
Rot. Bonds5

About 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne (PubChem CID 12769960) has the molecular formula C10H2F12 and a molecular weight of 350.10 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne
PubChem CID12769960
Molecular FormulaC10H2F12
Molecular Weight350.10 g/mol
Exact Mass350.00
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne
SMILESC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#C
InChIInChI=1S/C10H2F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h1-2H
InChIKeyAMGOALNXHWUMGS-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 12769961
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CID 19977454
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoroundec-4-yne
CID 172561754
trifluoromethylsulfanylethyne
CID 88601623
dichlorophosphinic acid;1,1,1,2,3,3-hexafluoropent-4-yn-2-ol
CID 175351943
CID 153489914
CID 153489914
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
CID 12758794
2,3-difluoropent-4-yne-2,3-diol
CID 91222968
1,1,1,4,4,5,5,6,6,7,7,7-dodecafluorohept-2-yne
CID 46898415
2-methylbut-3-yn-2-yl 2,2,2-trifluoroacetate
CID 11830027

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne (CID 12769960) is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne is C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#C.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne?
The InChIKey is AMGOALNXHWUMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h1-2H.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne?
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne has a molecular weight of 350.10 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diyne is sourced from PubChem (CID 12769960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).