1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane

C10H14F7I — CID 53413232

IUPAC1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane
SMILESCCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F7I/c1-2-3-4-5-7(18)6-8(11,9(12,13)14)10(15,16)17/h7H,2-6H2,1H3
InChIKeyGSQPSJXGCXEMDW-UHFFFAOYSA-N
MW394.11 g/mol
LogP5.59
Rot. Bonds6

About 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane

1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane (PubChem CID 53413232) has the molecular formula C10H14F7I and a molecular weight of 394.11 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane
PubChem CID53413232
Molecular FormulaC10H14F7I
Molecular Weight394.11 g/mol
Exact Mass394.00
IUPAC Name1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane
SMILESCCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F7I/c1-2-3-4-5-7(18)6-8(11,9(12,13)14)10(15,16)17/h7H,2-6H2,1H3
InChIKeyGSQPSJXGCXEMDW-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.59
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

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-8-iodo-2-(trifluoromethyl)octane
CID 2776236
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
1,1,1,2,2,3,3-Heptafluoro-6-iodo-4,4-bis(trifluoromethyl)decane
CID 14270442
2-(Perfluoro-7-methyloctyl)ethyl iodide
CID 2776209
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-12-iodo-2-(trifluoromethyl)dodecane
CID 2776214
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)octane
CID 44717276
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodo-7,7-dimethyloctane
CID 138396281
5-Ethyl-1,1,1,2,2,3,3-heptafluoro-5-iodononane
CID 13680166
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679
5-Ethyl-6-iodo-1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 132501147

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane (CID 53413232) is 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane is CCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane?
The InChIKey is GSQPSJXGCXEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7I/c1-2-3-4-5-7(18)6-8(11,9(12,13)14)10(15,16)17/h7H,2-6H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane?
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane has a molecular weight of 394.11 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane is sourced from PubChem (CID 53413232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).