1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane

C6H3F10I — CID 58901194

IUPAC1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane
SMILESFC(F)(F)C(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10I/c7-3(5(11,12)13,6(14,15)16)1-2(17)4(8,9)10/h2H,1H2
InChIKeyIFPFCMSUTLBECN-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.58
Rot. Bonds2

About 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane

1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane (PubChem CID 58901194) has the molecular formula C6H3F10I and a molecular weight of 391.97 g/mol. Its IUPAC name is 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane
PubChem CID58901194
Molecular FormulaC6H3F10I
Molecular Weight391.97 g/mol
Exact Mass391.91
IUPAC Name1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane
SMILESFC(F)(F)C(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10I/c7-3(5(11,12)13,6(14,15)16)1-2(17)4(8,9)10/h2H,1H2
InChIKeyIFPFCMSUTLBECN-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane (CID 58901194) is 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane is FC(F)(F)C(I)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane?
The InChIKey is IFPFCMSUTLBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10I/c7-3(5(11,12)13,6(14,15)16)1-2(17)4(8,9)10/h2H,1H2.
What are the key properties of 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane?
1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane has a molecular weight of 391.97 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane is sourced from PubChem (CID 58901194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).