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

C7H9F7 — CID 142058995

IUPACethane;(Z)-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-OLGQORCHSA-N
MW226.13 g/mol
LogP4.38
Rot. Bonds

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

ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene (PubChem CID 142058995) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene.

Molecular Properties

Compound Nameethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
PubChem CID142058995
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Nameethane;(Z)-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-OLGQORCHSA-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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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The IUPAC name of ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene (CID 142058995) is ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene.
What is the SMILES notation for ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The canonical SMILES for ethane;(Z)-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;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
The InChIKey is PWWPEFYFCCLCDW-OLGQORCHSA-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;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene?
ethane;(Z)-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;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene is sourced from PubChem (CID 142058995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).