1,1,5-trifluoro-1-iodo-3,5-dimethylhexane

C8H14F3I — CID 89295092

IUPAC1,1,5-trifluoro-1-iodo-3,5-dimethylhexane
SMILESCC(CC(C)(C)F)CC(F)(F)I
InChIInChI=1S/C8H14F3I/c1-6(4-7(2,3)9)5-8(10,11)12/h6H,4-5H2,1-3H3
InChIKeyLDTCXLWYFZBQOH-UHFFFAOYSA-N
MW294.10 g/mol
LogP4.18
Rot. Bonds4

About 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane

1,1,5-trifluoro-1-iodo-3,5-dimethylhexane (PubChem CID 89295092) has the molecular formula C8H14F3I and a molecular weight of 294.10 g/mol. Its IUPAC name is 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane.

Molecular Properties

Compound Name1,1,5-trifluoro-1-iodo-3,5-dimethylhexane
PubChem CID89295092
Molecular FormulaC8H14F3I
Molecular Weight294.10 g/mol
Exact Mass294.01
IUPAC Name1,1,5-trifluoro-1-iodo-3,5-dimethylhexane
SMILESCC(CC(C)(C)F)CC(F)(F)I
InChIInChI=1S/C8H14F3I/c1-6(4-7(2,3)9)5-8(10,11)12/h6H,4-5H2,1-3H3
InChIKeyLDTCXLWYFZBQOH-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 54.18
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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Related Compounds

1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350
3-fluoro-3,5-dimethylheptane
CID 123257807
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
1,2-difluoro-2-iodopropane
CID 175825476
trifluoro(iodo)methane;zinc
CID 88708055
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
1,1,1-trifluoro-3-methylpentane
CID 21020397
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane?
The IUPAC name of 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane (CID 89295092) is 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane.
What is the SMILES notation for 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane?
The canonical SMILES for 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane is CC(CC(C)(C)F)CC(F)(F)I.
What is the InChIKey of 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane?
The InChIKey is LDTCXLWYFZBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3I/c1-6(4-7(2,3)9)5-8(10,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane?
1,1,5-trifluoro-1-iodo-3,5-dimethylhexane has a molecular weight of 294.10 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trifluoro-1-iodo-3,5-dimethylhexane is sourced from PubChem (CID 89295092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).