5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene

C7H7F6I — CID 146207493

IUPAC5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene
SMILESC=C(I)CC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6I/c1-4(14)3-5(2,6(8,9)10)7(11,12)13/h1,3H2,2H3
InChIKeyKSVORGLPADWZAI-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.46
Rot. Bonds2

About 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene

5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene (PubChem CID 146207493) has the molecular formula C7H7F6I and a molecular weight of 332.03 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene
PubChem CID146207493
Molecular FormulaC7H7F6I
Molecular Weight332.03 g/mol
Exact Mass331.95
IUPAC Name5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene
SMILESC=C(I)CC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6I/c1-4(14)3-5(2,6(8,9)10)7(11,12)13/h1,3H2,2H3
InChIKeyKSVORGLPADWZAI-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene (CID 146207493) is 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene is C=C(I)CC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene?
The InChIKey is KSVORGLPADWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6I/c1-4(14)3-5(2,6(8,9)10)7(11,12)13/h1,3H2,2H3.
What are the key properties of 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene?
5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene has a molecular weight of 332.03 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 146207493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).