1-amino-2,2-difluoro-2-iodoethanol

C2H4F2INO — CID 146752518

IUPAC1-amino-2,2-difluoro-2-iodoethanol
SMILESNC(O)C(F)(F)I
InChIInChI=1S/C2H4F2INO/c3-2(4,5)1(6)7/h1,7H,6H2
InChIKeyRNRKVXBLTMASTJ-UHFFFAOYSA-N
MW222.96 g/mol
LogP0.29
Rot. Bonds1

About 1-amino-2,2-difluoro-2-iodoethanol

1-amino-2,2-difluoro-2-iodoethanol (PubChem CID 146752518) has the molecular formula C2H4F2INO and a molecular weight of 222.96 g/mol. Its IUPAC name is 1-amino-2,2-difluoro-2-iodoethanol.

Molecular Properties

Compound Name1-amino-2,2-difluoro-2-iodoethanol
PubChem CID146752518
Molecular FormulaC2H4F2INO
Molecular Weight222.96 g/mol
Exact Mass222.93
IUPAC Name1-amino-2,2-difluoro-2-iodoethanol
SMILESNC(O)C(F)(F)I
InChIInChI=1S/C2H4F2INO/c3-2(4,5)1(6)7/h1,7H,6H2
InChIKeyRNRKVXBLTMASTJ-UHFFFAOYSA-N
XLogP0.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.96
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-4,4-difluoro-4-iodobutane-1,2,3-triol
CID 162586330
2-aminoethane-1,1,1,2-tetrol;hydrochloride
CID 173410323
1,2-diaminoethane-1,1,2-triol
CID 19983644
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
1-aminopropane-1,2,2-triol
CID 89487611
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
(2R,3S)-3-amino-4,4,4-trifluorobutan-2-ol;hydrochloride
CID 146050225
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
CID 90120224

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-difluoro-2-iodoethanol?
The IUPAC name of 1-amino-2,2-difluoro-2-iodoethanol (CID 146752518) is 1-amino-2,2-difluoro-2-iodoethanol.
What is the SMILES notation for 1-amino-2,2-difluoro-2-iodoethanol?
The canonical SMILES for 1-amino-2,2-difluoro-2-iodoethanol is NC(O)C(F)(F)I.
What is the InChIKey of 1-amino-2,2-difluoro-2-iodoethanol?
The InChIKey is RNRKVXBLTMASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2INO/c3-2(4,5)1(6)7/h1,7H,6H2.
What are the key properties of 1-amino-2,2-difluoro-2-iodoethanol?
1-amino-2,2-difluoro-2-iodoethanol has a molecular weight of 222.96 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-difluoro-2-iodoethanol is sourced from PubChem (CID 146752518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).