1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite

C7H14F5NO — CID 162256117

IUPAC1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite
SMILESC=CC(F)(F)N(C)C.COF.FCF
InChIInChI=1S/C5H9F2N.CH2F2.CH3FO/c1-4-5(6,7)8(2)3;2-1-3;1-3-2/h4H,1H2,2-3H3;1H2;1H3
InChIKeyZYPRXHDEILPBBA-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.73
Rot. Bonds2

About 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite

1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite (PubChem CID 162256117) has the molecular formula C7H14F5NO and a molecular weight of 223.18 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite
PubChem CID162256117
Molecular FormulaC7H14F5NO
Molecular Weight223.18 g/mol
Exact Mass223.10
IUPAC Name1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite
SMILESC=CC(F)(F)N(C)C.COF.FCF
InChIInChI=1S/C5H9F2N.CH2F2.CH3FO/c1-4-5(6,7)8(2)3;2-1-3;1-3-2/h4H,1H2,2-3H3;1H2;1H3
InChIKeyZYPRXHDEILPBBA-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite?
The IUPAC name of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite (CID 162256117) is 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite.
What is the SMILES notation for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite?
The canonical SMILES for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite is C=CC(F)(F)N(C)C.COF.FCF.
What is the InChIKey of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite?
The InChIKey is ZYPRXHDEILPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.CH2F2.CH3FO/c1-4-5(6,7)8(2)3;2-1-3;1-3-2/h4H,1H2,2-3H3;1H2;1H3.
What are the key properties of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite?
1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite has a molecular weight of 223.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine;difluoromethane;methyl hypofluorite is sourced from PubChem (CID 162256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).