1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane

C8H12F3IO — CID 114774549

IUPAC1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
SMILESCC(OC1CCCC1I)C(F)(F)F
InChIInChI=1S/C8H12F3IO/c1-5(8(9,10)11)13-7-4-2-3-6(7)12/h5-7H,2-4H2,1H3
InChIKeyOYWZXKKYWVNTBM-UHFFFAOYSA-N
MW308.08 g/mol
LogP3.31
Rot. Bonds2

About 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane

1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane (PubChem CID 114774549) has the molecular formula C8H12F3IO and a molecular weight of 308.08 g/mol. Its IUPAC name is 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane.

Molecular Properties

Compound Name1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
PubChem CID114774549
Molecular FormulaC8H12F3IO
Molecular Weight308.08 g/mol
Exact Mass307.99
IUPAC Name1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
SMILESCC(OC1CCCC1I)C(F)(F)F
InChIInChI=1S/C8H12F3IO/c1-5(8(9,10)11)13-7-4-2-3-6(7)12/h5-7H,2-4H2,1H3
InChIKeyOYWZXKKYWVNTBM-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The IUPAC name of 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane (CID 114774549) is 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane.
What is the SMILES notation for 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The canonical SMILES for 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane is CC(OC1CCCC1I)C(F)(F)F.
What is the InChIKey of 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The InChIKey is OYWZXKKYWVNTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3IO/c1-5(8(9,10)11)13-7-4-2-3-6(7)12/h5-7H,2-4H2,1H3.
What are the key properties of 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane has a molecular weight of 308.08 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,1,1-trifluoropropan-2-yloxy)cyclopentane is sourced from PubChem (CID 114774549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).