1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene

C14H11F17 — CID 54355597

IUPAC1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene
SMILESCCCCCC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H11F17/c1-2-3-4-5-6(10(17,18)19)7(8(15,11(20,21)22)12(23,24)25)9(16,13(26,27)28)14(29,30)31/h2-5H2,1H3
InChIKeyUIWSMNCTJWNSQX-UHFFFAOYSA-N
MW502.21 g/mol
LogP8.09
Rot. Bonds6

About 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene

1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene (PubChem CID 54355597) has the molecular formula C14H11F17 and a molecular weight of 502.21 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene
PubChem CID54355597
Molecular FormulaC14H11F17
Molecular Weight502.21 g/mol
Exact Mass502.06
IUPAC Name1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene
SMILESCCCCCC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H11F17/c1-2-3-4-5-6(10(17,18)19)7(8(15,11(20,21)22)12(23,24)25)9(16,13(26,27)28)14(29,30)31/h2-5H2,1H3
InChIKeyUIWSMNCTJWNSQX-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene?
The IUPAC name of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene (CID 54355597) is 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene is CCCCCC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene?
The InChIKey is UIWSMNCTJWNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F17/c1-2-3-4-5-6(10(17,18)19)7(8(15,11(20,21)22)12(23,24)25)9(16,13(26,27)28)14(29,30)31/h2-5H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene?
1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene has a molecular weight of 502.21 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene is sourced from PubChem (CID 54355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).