(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene

C7H9ClF3I — CID 77114658

IUPAC(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene
SMILESFC(F)(F)/C=C(/I)CCCCCl
InChIInChI=1S/C7H9ClF3I/c8-4-2-1-3-6(12)5-7(9,10)11/h5H,1-4H2/b6-5+
InChIKeyBKGCCHZXSUGWOL-AATRIKPKSA-N
MW312.50 g/mol
LogP4.28
Rot. Bonds4

About (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene

(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene (PubChem CID 77114658) has the molecular formula C7H9ClF3I and a molecular weight of 312.50 g/mol. Its IUPAC name is (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene.

Molecular Properties

Compound Name(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene
PubChem CID77114658
Molecular FormulaC7H9ClF3I
Molecular Weight312.50 g/mol
Exact Mass311.94
IUPAC Name(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene
SMILESFC(F)(F)/C=C(/I)CCCCCl
InChIInChI=1S/C7H9ClF3I/c8-4-2-1-3-6(12)5-7(9,10)11/h5H,1-4H2/b6-5+
InChIKeyBKGCCHZXSUGWOL-AATRIKPKSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-1,1,1-trifluorohept-2-ene
CID 77114659
(E)-6-chloro-1,1,1-trifluorohex-2-ene
CID 177852852
(Z)-1-chloro-1,1,2,2-tetrafluoro-4-iodonon-4-ene
CID 102273461
7-Chloro-1-iodohept-2-ene
CID 171472241

Frequently Asked Questions

What is the IUPAC name of (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene?
The IUPAC name of (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene (CID 77114658) is (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene.
What is the SMILES notation for (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene?
The canonical SMILES for (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene is FC(F)(F)/C=C(/I)CCCCCl.
What is the InChIKey of (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene?
The InChIKey is BKGCCHZXSUGWOL-AATRIKPKSA-N. The full InChI is InChI=1S/C7H9ClF3I/c8-4-2-1-3-6(12)5-7(9,10)11/h5H,1-4H2/b6-5+.
What are the key properties of (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene?
(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene has a molecular weight of 312.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene is sourced from PubChem (CID 77114658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).