1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride

C7H2F14 — CID 162621477

IUPAC1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
SMILESF.FC(F)=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13.FH/c8-2(9)1-3(10,6(15,16)17)4(11,12)5(13,14)7(18,19)20;/h1H;1H
InChIKeyXETIULGMFNKPIC-UHFFFAOYSA-N
MW352.07 g/mol
LogP5.02
Rot. Bonds3

About 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride

1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride (PubChem CID 162621477) has the molecular formula C7H2F14 and a molecular weight of 352.07 g/mol. Its IUPAC name is 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride.

Molecular Properties

Compound Name1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
PubChem CID162621477
Molecular FormulaC7H2F14
Molecular Weight352.07 g/mol
Exact Mass351.99
IUPAC Name1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
SMILESF.FC(F)=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13.FH/c8-2(9)1-3(10,6(15,16)17)4(11,12)5(13,14)7(18,19)20;/h1H;1H
InChIKeyXETIULGMFNKPIC-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.07
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride with MolForge

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Related Compounds

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CID 175814235
3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
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1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
CID 139624021
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
CID 175811708
CID 175811708
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
(E)-1,1,1,2,5,6,6,7,7,7-decafluoro-2,5-bis(trifluoromethyl)hept-3-ene
CID 87098662
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,3,3-tetrafluoro-3-(1,1,3,3-tetrafluoroprop-2-enoxy)prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride?
The IUPAC name of 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride (CID 162621477) is 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride.
What is the SMILES notation for 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride?
The canonical SMILES for 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride is F.FC(F)=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride?
The InChIKey is XETIULGMFNKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13.FH/c8-2(9)1-3(10,6(15,16)17)4(11,12)5(13,14)7(18,19)20;/h1H;1H.
What are the key properties of 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride?
1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride has a molecular weight of 352.07 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride is sourced from PubChem (CID 162621477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).