1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane

C8H10F5I — CID 2775175

IUPAC1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C8H10F5I/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)14/h5-6H,1-4H2
InChIKeyDSLYPUILDQBYTC-UHFFFAOYSA-N
MW328.06 g/mol
LogP4.18
Rot. Bonds1

About 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane

1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane (PubChem CID 2775175) has the molecular formula C8H10F5I and a molecular weight of 328.06 g/mol. Its IUPAC name is 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane.

Molecular Properties

Compound Name1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane
PubChem CID2775175
Molecular FormulaC8H10F5I
Molecular Weight328.06 g/mol
Exact Mass327.97
IUPAC Name1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C8H10F5I/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)14/h5-6H,1-4H2
InChIKeyDSLYPUILDQBYTC-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)cyclohexane
CID 20029276
1-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-iodocyclohexane
CID 2774923
1-(Heptafluoropropyl)-2-iodocyclohexane
CID 2774939
Cis-1-iodo-2-(heptafluoropropyl)cyclohexane
CID 2774940
trans-1-Iodo-2-(heptafluoropropyl)cyclohexane
CID 45074728
Cyclohexane, (1,1,2,3,3,3-hexafluoropropyl)-
CID 10823560
(1,1,2-Trifluoro-ethyl)-cyclohexane
CID 12634318
1,1-Difluoro-4-(iodomethyl)cyclohexane
CID 67236985
1-Iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexane
CID 11071480
2,2-Difluoroethylcyclohexane
CID 23184759
1-Iodo-4-(trifluoromethyl)cyclohexane
CID 67978959
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-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The IUPAC name of 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane (CID 2775175) is 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane.
What is the SMILES notation for 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The canonical SMILES for 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane is FC(F)(F)C(F)(F)C1CCCCC1I.
What is the InChIKey of 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The InChIKey is DSLYPUILDQBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5I/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)14/h5-6H,1-4H2.
What are the key properties of 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane has a molecular weight of 328.06 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,1,2,2,2-pentafluoroethyl)cyclohexane is sourced from PubChem (CID 2775175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).