(2,2-difluorocyclopropyl)-methyliodanuidylmethanone

C5H6F2IO- — CID 163747612

IUPAC(2,2-difluorocyclopropyl)-methyliodanuidylmethanone
SMILESC[I-]C(=O)C1CC1(F)F
InChIInChI=1S/C5H6F2IO/c1-8-4(9)3-2-5(3,6)7/h3H,2H2,1H3/q-1
InChIKeyTXZFFYDPNGZAHA-UHFFFAOYSA-N
MW247.00 g/mol
LogP-2.11
Rot. Bonds2

About (2,2-difluorocyclopropyl)-methyliodanuidylmethanone

(2,2-difluorocyclopropyl)-methyliodanuidylmethanone (PubChem CID 163747612) has the molecular formula C5H6F2IO- and a molecular weight of 247.00 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-methyliodanuidylmethanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-methyliodanuidylmethanone
PubChem CID163747612
Molecular FormulaC5H6F2IO-
Molecular Weight247.00 g/mol
Exact Mass246.94
IUPAC Name(2,2-difluorocyclopropyl)-methyliodanuidylmethanone
SMILESC[I-]C(=O)C1CC1(F)F
InChIInChI=1S/C5H6F2IO/c1-8-4(9)3-2-5(3,6)7/h3H,2H2,1H3/q-1
InChIKeyTXZFFYDPNGZAHA-UHFFFAOYSA-N
XLogP-2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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 (2,2-difluorocyclopropyl)-methyliodanuidylmethanone?
The IUPAC name of (2,2-difluorocyclopropyl)-methyliodanuidylmethanone (CID 163747612) is (2,2-difluorocyclopropyl)-methyliodanuidylmethanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-methyliodanuidylmethanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-methyliodanuidylmethanone is C[I-]C(=O)C1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)-methyliodanuidylmethanone?
The InChIKey is TXZFFYDPNGZAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2IO/c1-8-4(9)3-2-5(3,6)7/h3H,2H2,1H3/q-1.
What are the key properties of (2,2-difluorocyclopropyl)-methyliodanuidylmethanone?
(2,2-difluorocyclopropyl)-methyliodanuidylmethanone has a molecular weight of 247.00 g/mol, XLogP of -2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-methyliodanuidylmethanone is sourced from PubChem (CID 163747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).