bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol

C16H13F2IO — CID 102408638

IUPACbis(4-fluorophenyl)-(1-iodocyclopropyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1(I)CC1
InChIInChI=1S/C16H13F2IO/c17-13-5-1-11(2-6-13)16(20,15(19)9-10-15)12-3-7-14(18)8-4-12/h1-8,20H,9-10H2
InChIKeyJIGKYYGNMICZNK-UHFFFAOYSA-N
MW386.18 g/mol
LogP4.17
Rot. Bonds3

About bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol

bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol (PubChem CID 102408638) has the molecular formula C16H13F2IO and a molecular weight of 386.18 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(1-iodocyclopropyl)methanol
PubChem CID102408638
Molecular FormulaC16H13F2IO
Molecular Weight386.18 g/mol
Exact Mass386.00
IUPAC Namebis(4-fluorophenyl)-(1-iodocyclopropyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1(I)CC1
InChIInChI=1S/C16H13F2IO/c17-13-5-1-11(2-6-13)16(20,15(19)9-10-15)12-3-7-14(18)8-4-12/h1-8,20H,9-10H2
InChIKeyJIGKYYGNMICZNK-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol?
The IUPAC name of bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol (CID 102408638) is bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol.
What is the SMILES notation for bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol?
The canonical SMILES for bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1(I)CC1.
What is the InChIKey of bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol?
The InChIKey is JIGKYYGNMICZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2IO/c17-13-5-1-11(2-6-13)16(20,15(19)9-10-15)12-3-7-14(18)8-4-12/h1-8,20H,9-10H2.
What are the key properties of bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol?
bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol has a molecular weight of 386.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(1-iodocyclopropyl)methanol is sourced from PubChem (CID 102408638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).