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

C7H12F4 — CID 142058978

IUPACethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene
SMILESC/C(F)=C(/C)C(F)(F)F.CC
InChIInChI=1S/C5H6F4.C2H6/c1-3(4(2)6)5(7,8)9;1-2/h1-2H3;1-2H3/b4-3+;
InChIKeyRXVJXKMGACOEEQ-BJILWQEISA-N
MW172.16 g/mol
LogP3.84
Rot. Bonds

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

ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene (PubChem CID 142058978) has the molecular formula C7H12F4 and a molecular weight of 172.16 g/mol. Its IUPAC name is ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene.

Molecular Properties

Compound Nameethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene
PubChem CID142058978
Molecular FormulaC7H12F4
Molecular Weight172.16 g/mol
Exact Mass172.09
IUPAC Nameethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene
SMILESC/C(F)=C(/C)C(F)(F)F.CC
InChIInChI=1S/C5H6F4.C2H6/c1-3(4(2)6)5(7,8)9;1-2/h1-2H3;1-2H3/b4-3+;
InChIKeyRXVJXKMGACOEEQ-BJILWQEISA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene?
The IUPAC name of ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene (CID 142058978) is ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene.
What is the SMILES notation for ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene?
The canonical SMILES for ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene is C/C(F)=C(/C)C(F)(F)F.CC.
What is the InChIKey of ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene?
The InChIKey is RXVJXKMGACOEEQ-BJILWQEISA-N. The full InChI is InChI=1S/C5H6F4.C2H6/c1-3(4(2)6)5(7,8)9;1-2/h1-2H3;1-2H3/b4-3+;.
What are the key properties of ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene?
ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene has a molecular weight of 172.16 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene is sourced from PubChem (CID 142058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).