(1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane

C8H12F3I — CID 67943908

IUPAC(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
SMILESCC(C1CCCC1)(C(F)(F)F)I
InChIInChI=1S/C8H12F3I/c1-7(12,8(9,10)11)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyLLUBJHUXQBTBOB-UHFFFAOYSA-N
MW292.08 g/mol
LogP4.90
Rot. Bonds1

About (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane

(1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane (PubChem CID 67943908) has the molecular formula C8H12F3I and a molecular weight of 292.08 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane.

Molecular Properties

Compound Name(1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane
PubChem CID67943908
Molecular FormulaC8H12F3I
Molecular Weight292.08 g/mol
Exact Mass291.99
IUPAC Name(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
SMILESCC(C1CCCC1)(C(F)(F)F)I
InChIInChI=1S/C8H12F3I/c1-7(12,8(9,10)11)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyLLUBJHUXQBTBOB-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity160

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-2-iodocyclopentane
CID 13906860
3-Trifluoromethylheptyl iodide
CID 15100011
1-Iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentane
CID 20029260
(3,3,4,4,5,5,5-Heptafluoro-1-iodopentyl)cyclopentane
CID 20029278
(3,3,3-Trifluoro-1-iodopropyl)cyclopentane
CID 20029286
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooctyl)cyclopentane
CID 20029288
1,1,1-Trifluorobutan-2-ylcyclopentane
CID 57196941
1,1-Difluoro-3-propan-2-ylcyclopentane
CID 57835259
4-(2,2-Difluoro-2-iodoethyl)-1,1,1,2,6,7,7,7-octafluoro-2-methyl-6-(trifluoromethyl)heptane
CID 58915561
(3R)-1,1-difluoro-3-propan-2-ylcyclopentane
CID 59458422
(3S)-1,1-difluoro-3-propan-2-ylcyclopentane
CID 59459228
1,1-Difluoro-2-propan-2-ylcyclopentane
CID 68316697

Frequently Asked Questions

What is the IUPAC name of (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane?
The IUPAC name of (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane (CID 67943908) is (1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane.
What is the SMILES notation for (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane?
The canonical SMILES for (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane is CC(C1CCCC1)(C(F)(F)F)I.
What is the InChIKey of (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane?
The InChIKey is LLUBJHUXQBTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3I/c1-7(12,8(9,10)11)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane?
(1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane has a molecular weight of 292.08 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-Trifluoro-2-iodopropan-2-yl)cyclopentane is sourced from PubChem (CID 67943908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).