1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane

C6H8F5I — CID 152703075

IUPAC1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane
SMILESCC(I)C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5I/c1-3(4(2)12)5(7,8)6(9,10)11/h3-4H,1-2H3
InChIKeyZRZIMPQTUJDUAA-UHFFFAOYSA-N
MW302.02 g/mol
LogP3.64
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane

1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane (PubChem CID 152703075) has the molecular formula C6H8F5I and a molecular weight of 302.02 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane
PubChem CID152703075
Molecular FormulaC6H8F5I
Molecular Weight302.02 g/mol
Exact Mass301.96
IUPAC Name1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane
SMILESCC(I)C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5I/c1-3(4(2)12)5(7,8)6(9,10)11/h3-4H,1-2H3
InChIKeyZRZIMPQTUJDUAA-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.02
LogP ≤ 53.64
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane
CID 87128143
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-9-methyldodecane
CID 153324145
4,4,5,5,6,6,7,7,7-nonafluoro-2-iodo-3-methylheptanenitrile
CID 162535901
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
4-chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
CID 22613639
(4R)-1,1,1,2,2-pentafluoro-4-iodopentane
CID 97109313
1,1,1-trifluoro-2-iodo-3-methylbutane
CID 147405184
2-iodo-3-methylbutane
CID 519544

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane (CID 152703075) is 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane is CC(I)C(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane?
The InChIKey is ZRZIMPQTUJDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5I/c1-3(4(2)12)5(7,8)6(9,10)11/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane?
1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane has a molecular weight of 302.02 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-4-iodo-3-methylpentane is sourced from PubChem (CID 152703075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).