(E)-1,1,1-trifluoro-3-iodohept-2-ene

C7H10F3I — CID 10564512

IUPAC(E)-1,1,1-trifluoro-3-iodohept-2-ene
SMILESCCCC/C(I)=C\C(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h5H,2-4H2,1H3/b6-5+
InChIKeyXGYLIQUVRWPNKO-AATRIKPKSA-N
MW278.05 g/mol
LogP4.06
Rot. Bonds3

About (E)-1,1,1-trifluoro-3-iodohept-2-ene

(E)-1,1,1-trifluoro-3-iodohept-2-ene (PubChem CID 10564512) has the molecular formula C7H10F3I and a molecular weight of 278.05 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-iodohept-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-iodohept-2-ene
PubChem CID10564512
Molecular FormulaC7H10F3I
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name(E)-1,1,1-trifluoro-3-iodohept-2-ene
SMILESCCCC/C(I)=C\C(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h5H,2-4H2,1H3/b6-5+
InChIKeyXGYLIQUVRWPNKO-AATRIKPKSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluoro-3-iodohept-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

(5Z)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene
CID 129409171
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iododec-5-ene
CID 76533840
(5E)-1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 101751958
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodododec-5-ene
CID 86153409
(Z)-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodododec-5-ene
CID 13680177
1,1,1-Trifluoro-2-heptene
CID 2782636
2-Iodo-1-(perfluorohexyl)oct-1-ene
CID 54188640
(Z)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
CID 9959394
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradec-7-ene
CID 10816616
(Z,4R)-4-fluoro-2-iodopent-2-ene
CID 135011838
(E)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododec-5-ene
CID 146167904
(Z)-2-iodohept-2-ene
CID 13268578

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3-iodohept-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-3-iodohept-2-ene (CID 10564512) is (E)-1,1,1-trifluoro-3-iodohept-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-iodohept-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-3-iodohept-2-ene is CCCC/C(I)=C\C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-iodohept-2-ene?
The InChIKey is XGYLIQUVRWPNKO-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h5H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-3-iodohept-2-ene?
(E)-1,1,1-trifluoro-3-iodohept-2-ene has a molecular weight of 278.05 g/mol, XLogP of 4.06, 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-iodohept-2-ene is sourced from PubChem (CID 10564512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).