(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene

C8H10F6 — CID 10536877

IUPAC(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene
SMILESCCCC/C(=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-6(8(12,13)14)5-7(9,10)11/h5H,2-4H2,1H3/b6-5+
InChIKeyYESJMRGEZUZYGD-AATRIKPKSA-N
MW220.16 g/mol
LogP4.23
Rot. Bonds3

About (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene

(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene (PubChem CID 10536877) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene
PubChem CID10536877
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene
SMILESCCCC/C(=C\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-6(8(12,13)14)5-7(9,10)11/h5H,2-4H2,1H3/b6-5+
InChIKeyYESJMRGEZUZYGD-AATRIKPKSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3-Heptafluoronon-4-ene
CID 2774929
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 14043465
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorodec-5-ene
CID 14785119
1,1,1,2,2,3,3,4,4,5,5,6-Dodecafluorododec-6-ene
CID 71329208
1,1,1,2,2,3,3,4-Octafluorodec-4-ene
CID 71429346
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
1,1,1,2,2,3,3,4,4-Nonafluoroundec-5-ene
CID 85799506
(4E)-1,1,1,2,2,3,3-Heptafluorodec-4-ene
CID 98041497

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene (CID 10536877) is (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene is CCCC/C(=C\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene?
The InChIKey is YESJMRGEZUZYGD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10F6/c1-2-3-4-6(8(12,13)14)5-7(9,10)11/h5H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene?
(E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene has a molecular weight of 220.16 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 10536877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).