(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane

C6H4F9I — CID 97291082

IUPAC(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)[C@](F)(CCI)C(F)(F)F
InChIInChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2/t3-/m1/s1
InChIKeyAOJSNAHJSVDKPI-GSVOUGTGSA-N
MW373.98 g/mol
LogP4.28
Rot. Bonds3

About (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane

(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane (PubChem CID 97291082) has the molecular formula C6H4F9I and a molecular weight of 373.98 g/mol. Its IUPAC name is (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
PubChem CID97291082
Molecular FormulaC6H4F9I
Molecular Weight373.98 g/mol
Exact Mass373.92
IUPAC Name(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)[C@](F)(CCI)C(F)(F)F
InChIInChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2/t3-/m1/s1
InChIKeyAOJSNAHJSVDKPI-GSVOUGTGSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 54.28
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

1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-thiol
CID 158646492
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)butane
CID 2776771
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-17-iodoheptadecane
CID 15528996
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
[3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
CID 135351657
5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane
CID 153324207
3,3,4,4-tetrafluoro-1-iodohexane
CID 151236559
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
2-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-3-(trifluoromethyl)nonyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 174505409
2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane
CID 170873926
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane?
The IUPAC name of (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane (CID 97291082) is (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane.
What is the SMILES notation for (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane?
The canonical SMILES for (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)[C@](F)(CCI)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane?
The InChIKey is AOJSNAHJSVDKPI-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2/t3-/m1/s1.
What are the key properties of (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane?
(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane has a molecular weight of 373.98 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane is sourced from PubChem (CID 97291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).