1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane

C9H10F7I — CID 2774939

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2
InChIKeyOPDPCHBOZHWKOZ-UHFFFAOYSA-N
MW378.07 g/mol
LogP4.81
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane

1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane (PubChem CID 2774939) has the molecular formula C9H10F7I and a molecular weight of 378.07 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane
PubChem CID2774939
Molecular FormulaC9H10F7I
Molecular Weight378.07 g/mol
Exact Mass377.97
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2
InChIKeyOPDPCHBOZHWKOZ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.07
LogP ≤ 54.81
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
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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylcyclohexane
CID 10962173

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane (CID 2774939) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane is FC(F)(F)C(F)(F)C(F)(F)C1CCCCC1I.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane?
The InChIKey is OPDPCHBOZHWKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane?
1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane has a molecular weight of 378.07 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane is sourced from PubChem (CID 2774939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).