1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane

C9H10F7I — CID 2774923

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane
SMILESFC(F)(F)C(F)(C1CCCCC1I)C(F)(F)F
InChIInChI=1S/C9H10F7I/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2
InChIKeyMPDWEHWICQEPCD-UHFFFAOYSA-N
MW378.07 g/mol
LogP4.81
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane (PubChem CID 2774923) has the molecular formula C9H10F7I and a molecular weight of 378.07 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane
PubChem CID2774923
Molecular FormulaC9H10F7I
Molecular Weight378.07 g/mol
Exact Mass377.97
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane
SMILESFC(F)(F)C(F)(C1CCCCC1I)C(F)(F)F
InChIInChI=1S/C9H10F7I/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2
InChIKeyMPDWEHWICQEPCD-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane (CID 2774923) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane is FC(F)(F)C(F)(C1CCCCC1I)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane?
The InChIKey is MPDWEHWICQEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7I/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane has a molecular weight of 378.07 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodocyclohexane is sourced from PubChem (CID 2774923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).