3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne

C7H3F9 — CID 12758794

IUPAC3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
SMILESC#CC(F)(C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C7H3F9/c1-2-5(10,3(8)6(11,12)13)4(9)7(14,15)16/h1,3-4H
InChIKeyGSRCXWYASGJKBO-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.13
Rot. Bonds2

About 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne

3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne (PubChem CID 12758794) has the molecular formula C7H3F9 and a molecular weight of 258.08 g/mol. Its IUPAC name is 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne.

Molecular Properties

Compound Name3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
PubChem CID12758794
Molecular FormulaC7H3F9
Molecular Weight258.08 g/mol
Exact Mass258.01
IUPAC Name3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
SMILESC#CC(F)(C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C7H3F9/c1-2-5(10,3(8)6(11,12)13)4(9)7(14,15)16/h1,3-4H
InChIKeyGSRCXWYASGJKBO-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.13
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

(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
3-bromo-3,3-difluoroprop-1-yne
CID 19977454
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
3,4,4,4-tetrafluoro-2,2-dimethylbutanenitrile
CID 105433992
4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
CID 12829383
1,1,1,2,3,3,4,4-octafluoropentane
CID 12829393
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
CID 175166868
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane
CID 134989448
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237

Frequently Asked Questions

What is the IUPAC name of 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne?
The IUPAC name of 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne (CID 12758794) is 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne.
What is the SMILES notation for 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne?
The canonical SMILES for 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne is C#CC(F)(C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne?
The InChIKey is GSRCXWYASGJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9/c1-2-5(10,3(8)6(11,12)13)4(9)7(14,15)16/h1,3-4H.
What are the key properties of 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne?
3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne has a molecular weight of 258.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne is sourced from PubChem (CID 12758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).