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

C11H16F7I — CID 14417679

IUPAC1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
SMILESCCCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F7I/c1-2-3-4-5-6-8(19)7-9(12,10(13,14)15)11(16,17)18/h8H,2-7H2,1H3
InChIKeyWSFOKYZKTIFNEK-UHFFFAOYSA-N
MW408.14 g/mol
LogP5.98
Rot. Bonds7

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

1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane (PubChem CID 14417679) has the molecular formula C11H16F7I and a molecular weight of 408.14 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
PubChem CID14417679
Molecular FormulaC11H16F7I
Molecular Weight408.14 g/mol
Exact Mass408.02
IUPAC Name1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
SMILESCCCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F7I/c1-2-3-4-5-6-8(19)7-9(12,10(13,14)15)11(16,17)18/h8H,2-7H2,1H3
InChIKeyWSFOKYZKTIFNEK-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.14
LogP ≤ 55.98
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane
CID 13299952
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodooctacosane
CID 138396315
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodotriacontane
CID 138396319
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
3-iodotetradecane
CID 122583608
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexadecane
CID 138396291
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane
CID 2782599
1,3-diiodononane
CID 168864693
1-iodononatriacontane-1-thiol
CID 87857448

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane (CID 14417679) is 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane is CCCCCCC(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)decane?
The InChIKey is WSFOKYZKTIFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7I/c1-2-3-4-5-6-8(19)7-9(12,10(13,14)15)11(16,17)18/h8H,2-7H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane?
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane has a molecular weight of 408.14 g/mol, XLogP of 5.98, 7 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)decane is sourced from PubChem (CID 14417679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).