1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene

C10H5F15 — CID 149142843

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-2(6(11,12)13)3(4(7(14,15)16)8(17,18)19)5(9(20,21)22)10(23,24)25/h4-5H,1H3
InChIKeyRILWBLFOCFUQQI-UHFFFAOYSA-N
MW410.12 g/mol
LogP6.35
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene

1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 149142843) has the molecular formula C10H5F15 and a molecular weight of 410.12 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
PubChem CID149142843
Molecular FormulaC10H5F15
Molecular Weight410.12 g/mol
Exact Mass410.02
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-2(6(11,12)13)3(4(7(14,15)16)8(17,18)19)5(9(20,21)22)10(23,24)25/h4-5H,1H3
InChIKeyRILWBLFOCFUQQI-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,3-tetrafluoro-2,4-dimethylpent-2-ene
CID 59911452
ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
CID 142059111
2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
CID 23440024
4,4,4-trifluoro-2-methylidene-3-(trifluoromethyl)butan-1-ol
CID 45075738
(Z)-1,1,1,3-tetrafluoro-2-methylpent-2-ene
CID 130289840
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;methanol
CID 175325249
2-bromo-4,4,4-trifluoro-3-methylbut-2-enoic acid
CID 53395634
1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
CID 71429326
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
methanol;1,1,1-trifluoropropan-2-one
CID 143449036

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene (CID 149142843) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene is CC(=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is RILWBLFOCFUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15/c1-2(6(11,12)13)3(4(7(14,15)16)8(17,18)19)5(9(20,21)22)10(23,24)25/h4-5H,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 410.12 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 149142843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).