ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene

C7H9F7 — CID 142059048

IUPACethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene
SMILESCC.CC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7.C2H6/c1-2(6)3(4(7,8)9)5(10,11)12;1-2/h1H3;1-2H3
InChIKeyIPMHYDNEGOYIBC-UHFFFAOYSA-N
MW226.13 g/mol
LogP4.38
Rot. Bonds

About ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene

ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene (PubChem CID 142059048) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene.

Molecular Properties

Compound Nameethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene
PubChem CID142059048
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Nameethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene
SMILESCC.CC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7.C2H6/c1-2(6)3(4(7,8)9)5(10,11)12;1-2/h1H3;1-2H3
InChIKeyIPMHYDNEGOYIBC-UHFFFAOYSA-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;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene?
The IUPAC name of ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene (CID 142059048) is ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene.
What is the SMILES notation for ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene?
The canonical SMILES for ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene is CC.CC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene?
The InChIKey is IPMHYDNEGOYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7.C2H6/c1-2(6)3(4(7,8)9)5(10,11)12;1-2/h1H3;1-2H3.
What are the key properties of ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene?
ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-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;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene is sourced from PubChem (CID 142059048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).