1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

C7HF13 — CID 11636522

IUPAC1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20/h2H
InChIKeySWVWFDVLGHFCMT-UHFFFAOYSA-N
MW332.06 g/mol
LogP5.08
Rot. Bonds1

About 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 11636522) has the molecular formula C7HF13 and a molecular weight of 332.06 g/mol. Its IUPAC name is 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
PubChem CID11636522
Molecular FormulaC7HF13
Molecular Weight332.06 g/mol
Exact Mass331.99
IUPAC Name1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20/h2H
InChIKeySWVWFDVLGHFCMT-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.06
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluoro(2-methyl-2-pentene)
CID 74105
2-Pentene, 1,1,1,3,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
CID 10970150
(E)-3-(Trifluoromethyl)nonafluoro-2-pentene
CID 13033398
Perfluoro-3-methyl-2-pentene
CID 53733725
2-Trifluoromethyl-3H-perfluoro-2-pentene
CID 10221377
1,1,1,4,4,5,5,5-Octafluoro-2,3-bis(trifluoromethyl)pent-2-ene
CID 12708031
1,1,1,3,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-ene
CID 12730203
3,5,5,5-Tetrafluoro-2-methyl-4-(trifluoromethyl)pent-2-ene
CID 23236392
(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene
CID 11055668
(E)-1,1,1,2,3,4,4,5,5-nonafluoropent-2-ene
CID 11471944
(E)-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
CID 14922984
(Z)-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
CID 16110801

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (CID 11636522) is 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is SWVWFDVLGHFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20/h2H.
What are the key properties of 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 332.06 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 11636522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).