ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene

C7H9F7 — CID 142059111

IUPACethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
SMILESC/C(=C(\F)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C5H3F7.C2H6/c1-2(4(7,8)9)3(6)5(10,11)12;1-2/h1H3;1-2H3/b3-2+;
InChIKeyPWWPEFYFCCLCDW-SQQVDAMQSA-N
MW226.13 g/mol
LogP4.38
Rot. Bonds

About ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene

ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene (PubChem CID 142059111) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene.

Molecular Properties

Compound Nameethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
PubChem CID142059111
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Nameethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
SMILESC/C(=C(\F)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C5H3F7.C2H6/c1-2(4(7,8)9)3(6)5(10,11)12;1-2/h1H3;1-2H3/b3-2+;
InChIKeyPWWPEFYFCCLCDW-SQQVDAMQSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
(E)-1,1,1,3-tetrafluoro-2,4-dimethylpent-2-ene
CID 59911452
(Z)-1,1,1,3-tetrafluoro-2-methylpent-2-ene
CID 130289840
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
2-bromo-4,4,4-trifluoro-3-methylbut-2-enoic acid
CID 53395634
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
CID 159475239
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The IUPAC name of ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene (CID 142059111) is ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene.
What is the SMILES notation for ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The canonical SMILES for ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene is C/C(=C(\F)C(F)(F)F)C(F)(F)F.CC.
What is the InChIKey of ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The InChIKey is PWWPEFYFCCLCDW-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H3F7.C2H6/c1-2(4(7,8)9)3(6)5(10,11)12;1-2/h1H3;1-2H3/b3-2+;.
What are the key properties of ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene has a molecular weight of 226.13 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene is sourced from PubChem (CID 142059111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).