1,1-difluoro-1-iodo-N,N-dimethylmethanamine

C3H6F2IN — CID 88506972

IUPAC1,1-difluoro-1-iodo-N,N-dimethylmethanamine
SMILESCN(C)C(F)(F)I
InChIInChI=1S/C3H6F2IN/c1-7(2)3(4,5)6/h1-2H3
InChIKeyHNTHNRJWJQXSHG-UHFFFAOYSA-N
MW220.99 g/mol
LogP1.53
Rot. Bonds1

About 1,1-difluoro-1-iodo-N,N-dimethylmethanamine

1,1-difluoro-1-iodo-N,N-dimethylmethanamine (PubChem CID 88506972) has the molecular formula C3H6F2IN and a molecular weight of 220.99 g/mol. Its IUPAC name is 1,1-difluoro-1-iodo-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1,1-difluoro-1-iodo-N,N-dimethylmethanamine
PubChem CID88506972
Molecular FormulaC3H6F2IN
Molecular Weight220.99 g/mol
Exact Mass220.95
IUPAC Name1,1-difluoro-1-iodo-N,N-dimethylmethanamine
SMILESCN(C)C(F)(F)I
InChIInChI=1S/C3H6F2IN/c1-7(2)3(4,5)6/h1-2H3
InChIKeyHNTHNRJWJQXSHG-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.99
LogP ≤ 51.53
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-iodo-N,N-dimethylmethanamine?
The IUPAC name of 1,1-difluoro-1-iodo-N,N-dimethylmethanamine (CID 88506972) is 1,1-difluoro-1-iodo-N,N-dimethylmethanamine.
What is the SMILES notation for 1,1-difluoro-1-iodo-N,N-dimethylmethanamine?
The canonical SMILES for 1,1-difluoro-1-iodo-N,N-dimethylmethanamine is CN(C)C(F)(F)I.
What is the InChIKey of 1,1-difluoro-1-iodo-N,N-dimethylmethanamine?
The InChIKey is HNTHNRJWJQXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2IN/c1-7(2)3(4,5)6/h1-2H3.
What are the key properties of 1,1-difluoro-1-iodo-N,N-dimethylmethanamine?
1,1-difluoro-1-iodo-N,N-dimethylmethanamine has a molecular weight of 220.99 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-iodo-N,N-dimethylmethanamine is sourced from PubChem (CID 88506972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).