(3,4-difluoro-2-iodophenyl)methanol

C7H5F2IO — CID 137378555

IUPAC(3,4-difluoro-2-iodophenyl)methanol
SMILESOCc1ccc(F)c(F)c1I
InChIInChI=1S/C7H5F2IO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3H2
InChIKeyFSRAVAUFKNQSRV-UHFFFAOYSA-N
MW270.02 g/mol
LogP2.06
Rot. Bonds1

About (3,4-difluoro-2-iodophenyl)methanol

(3,4-difluoro-2-iodophenyl)methanol (PubChem CID 137378555) has the molecular formula C7H5F2IO and a molecular weight of 270.02 g/mol. Its IUPAC name is (3,4-difluoro-2-iodophenyl)methanol.

Molecular Properties

Compound Name(3,4-difluoro-2-iodophenyl)methanol
PubChem CID137378555
Molecular FormulaC7H5F2IO
Molecular Weight270.02 g/mol
Exact Mass269.94
IUPAC Name(3,4-difluoro-2-iodophenyl)methanol
SMILESOCc1ccc(F)c(F)c1I
InChIInChI=1S/C7H5F2IO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3H2
InChIKeyFSRAVAUFKNQSRV-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.02
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-iodophenyl)methanol?
The IUPAC name of (3,4-difluoro-2-iodophenyl)methanol (CID 137378555) is (3,4-difluoro-2-iodophenyl)methanol.
What is the SMILES notation for (3,4-difluoro-2-iodophenyl)methanol?
The canonical SMILES for (3,4-difluoro-2-iodophenyl)methanol is OCc1ccc(F)c(F)c1I.
What is the InChIKey of (3,4-difluoro-2-iodophenyl)methanol?
The InChIKey is FSRAVAUFKNQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-2,11H,3H2.
What are the key properties of (3,4-difluoro-2-iodophenyl)methanol?
(3,4-difluoro-2-iodophenyl)methanol has a molecular weight of 270.02 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-iodophenyl)methanol is sourced from PubChem (CID 137378555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).