(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene

C10HF19 — CID 5352547

IUPAC(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene
SMILESF/C(=C(/C(F)(F)F)C(C(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10HF19/c11-2(6(17,18)19)1(5(14,15)16)4(3(12)13,7(20,21)9(24,25)26)8(22,23)10(27,28)29/h3H/b2-1+
InChIKeyADJBAYXUHDZVRL-OWOJBTEDSA-N
MW482.08 g/mol
LogP6.98
Rot. Bonds4

About (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene

(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene (PubChem CID 5352547) has the molecular formula C10HF19 and a molecular weight of 482.08 g/mol. Its IUPAC name is (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene
PubChem CID5352547
Molecular FormulaC10HF19
Molecular Weight482.08 g/mol
Exact Mass481.98
IUPAC Name(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene
SMILESF/C(=C(/C(F)(F)F)C(C(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10HF19/c11-2(6(17,18)19)1(5(14,15)16)4(3(12)13,7(20,21)9(24,25)26)8(22,23)10(27,28)29/h3H/b2-1+
InChIKeyADJBAYXUHDZVRL-OWOJBTEDSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.08
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene with MolForge

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Related Compounds

Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-2,5,5-trimethyl-2-hexene
CID 12860796
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
(Z)-1,1,1,2,4,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-2-ene
CID 21732800
(E)-3-[1,1-Bis(trifluoromethyl)ethyl]-4-(trifluoromethyl)-1,1,1,2,4,5,5,5-octafluoro-2-pentene
CID 11316770
(Z)-3-[1,1-Bis(trifluoromethyl)ethyl]-4-(trifluoromethyl)-1,1,1,2,4,5,5,5-octafluoro-2-pentene
CID 11453620
1,1,1,5,5,5-Hexafluoro-2,4-bis(trifluoromethyl)-3-(pentafluoroethyl)-4-methyl-2-pentene
CID 12078443
1,1,1,3,5,5,6,6,6-Nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)hex-2-ene
CID 19047903
1,4,4-Trifluoro-2,3,3-tris(trifluoromethyl)cyclobutene
CID 23236411
1,1,1,2,2,5,6,6,7,7,7-Undecafluoro-3,4,5-tris(trifluoromethyl)hept-3-ene
CID 53948276
1,1,1,5,5,6,6,6-Octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
CID 54277418

Frequently Asked Questions

What is the IUPAC name of (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene?
The IUPAC name of (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene (CID 5352547) is (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene?
The canonical SMILES for (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene is F/C(=C(/C(F)(F)F)C(C(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene?
The InChIKey is ADJBAYXUHDZVRL-OWOJBTEDSA-N. The full InChI is InChI=1S/C10HF19/c11-2(6(17,18)19)1(5(14,15)16)4(3(12)13,7(20,21)9(24,25)26)8(22,23)10(27,28)29/h3H/b2-1+.
What are the key properties of (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene?
(E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene has a molecular weight of 482.08 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(difluoromethyl)-1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 5352547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).