(E)-1,1,1-trifluorohept-3-ene

C7H11F3 — CID 23236366

IUPAC(E)-1,1,1-trifluorohept-3-ene
SMILESCCC/C=C/CC(F)(F)F
InChIInChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyHZCFHJSSVKRDLY-SNAWJCMRSA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds3

About (E)-1,1,1-trifluorohept-3-ene

(E)-1,1,1-trifluorohept-3-ene (PubChem CID 23236366) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluorohept-3-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluorohept-3-ene
PubChem CID23236366
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name(E)-1,1,1-trifluorohept-3-ene
SMILESCCC/C=C/CC(F)(F)F
InChIInChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyHZCFHJSSVKRDLY-SNAWJCMRSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluorohept-3-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

1-Propenylperfluoropropane
CID 2774912
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-ene
CID 5708518
1,1,1,2,2,3,3-Heptafluoronon-4-ene
CID 2774929
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorodec-5-ene
CID 14785119
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
5,5,6,6,7,7,7-Heptafluorohept-3-ene
CID 138396277
1,1,1,2,2,3,3-Heptafluorooct-4-ene
CID 138396278
1,1,1,2,2,3,3,4,4-Nonafluorodec-5-ene
CID 139974721
1,1,1,2,2,3,3-Heptafluorodec-4-ene
CID 150443469
3,3-Difluor-1-cyclopenten
CID 13759161
(2E)-1-Bromo-1,1-difluorohept-2-ene
CID 5702819

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluorohept-3-ene?
The IUPAC name of (E)-1,1,1-trifluorohept-3-ene (CID 23236366) is (E)-1,1,1-trifluorohept-3-ene.
What is the SMILES notation for (E)-1,1,1-trifluorohept-3-ene?
The canonical SMILES for (E)-1,1,1-trifluorohept-3-ene is CCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluorohept-3-ene?
The InChIKey is HZCFHJSSVKRDLY-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h4-5H,2-3,6H2,1H3/b5-4+.
What are the key properties of (E)-1,1,1-trifluorohept-3-ene?
(E)-1,1,1-trifluorohept-3-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 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-trifluorohept-3-ene is sourced from PubChem (CID 23236366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).