2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene

C14H2F24O — CID 141454667

IUPAC2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene
SMILESFC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C14H2F24O/c15-1(7(21,22)5(19)11(27,28)29)3(17)9(25,13(33,34)35)39-10(26,14(36,37)38)4(18)2(16)8(23,24)6(20)12(30,31)32/h5-6H
InChIKeyDJKSSLURTZGVMS-UHFFFAOYSA-N
MW642.12 g/mol
LogP8.83
Rot. Bonds8

About 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene

2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene (PubChem CID 141454667) has the molecular formula C14H2F24O and a molecular weight of 642.12 g/mol. Its IUPAC name is 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene.

Molecular Properties

Compound Name2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene
PubChem CID141454667
Molecular FormulaC14H2F24O
Molecular Weight642.12 g/mol
Exact Mass641.97
IUPAC Name2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene
SMILESFC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C14H2F24O/c15-1(7(21,22)5(19)11(27,28)29)3(17)9(25,13(33,34)35)39-10(26,14(36,37)38)4(18)2(16)8(23,24)6(20)12(30,31)32/h5-6H
InChIKeyDJKSSLURTZGVMS-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.12
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene with MolForge

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Related Compounds

(Z)-3,4,4,5,5,6,6,6-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hex-2-ene
CID 9979030
1,2,3,4,5,6-Hexafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)cyclohexa-1,3-diene
CID 53443744
1,1,1,2,3,5,5,5-Octafluoro-4-(1,1,1,3,4,5,5,5-octafluoropent-3-en-2-yloxy)pent-2-ene
CID 57212045
2,5,6,6-tetrafluoro-2-(trifluoromethyl)-3H-pyran
CID 57603592
1,1,1,2,2,3,4,5,6,6,7,7,7-Tridecafluoro-5-methoxyhept-3-ene
CID 87091155
(Z)-1,1,2,3-tetrafluoro-1-[(Z)-1,1,2,3-tetrafluorohex-2-enoxy]hex-2-ene
CID 88266507
(E)-1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614881
1,1,1,2,2,3,4,5,6,6,7,7,7-Tridecafluoro-5-methoxyheptane-3-ene
CID 132609089
1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene
CID 139915020
1,1,1,4,5,5,5-Heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene
CID 141454663
1,1,2,3,4,4,5,5,6,6,6-Undecafluoro-1-(1,1,2,3,4,4,5,5,6,6,6-undecafluorohex-2-enoxy)hex-2-ene
CID 141460577
1,1,2,3,4,4,5,5,5-Nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene?
The IUPAC name of 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene (CID 141454667) is 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene.
What is the SMILES notation for 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene?
The canonical SMILES for 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene is FC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene?
The InChIKey is DJKSSLURTZGVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F24O/c15-1(7(21,22)5(19)11(27,28)29)3(17)9(25,13(33,34)35)39-10(26,14(36,37)38)4(18)2(16)8(23,24)6(20)12(30,31)32/h5-6H.
What are the key properties of 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene?
2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene has a molecular weight of 642.12 g/mol, XLogP of 8.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-en-2-yloxy)-1,1,1,2,3,4,5,5,6,7,7,7-dodecafluorohept-3-ene is sourced from PubChem (CID 141454667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).