N,N-bis(fluoromethyl)nitrous amide

C2H4F2N2O — CID 172967708

IUPACN,N-bis(fluoromethyl)nitrous amide
SMILESO=NN(CF)CF
InChIInChI=1S/C2H4F2N2O/c3-1-6(2-4)5-7/h1-2H2
InChIKeyZCDDNHHYNNSQEM-UHFFFAOYSA-N
MW110.06 g/mol
LogP0.82
Rot. Bonds3

About N,N-bis(fluoromethyl)nitrous amide

N,N-bis(fluoromethyl)nitrous amide (PubChem CID 172967708) has the molecular formula C2H4F2N2O and a molecular weight of 110.06 g/mol. Its IUPAC name is N,N-bis(fluoromethyl)nitrous amide.

Molecular Properties

Compound NameN,N-bis(fluoromethyl)nitrous amide
PubChem CID172967708
Molecular FormulaC2H4F2N2O
Molecular Weight110.06 g/mol
Exact Mass110.03
IUPAC NameN,N-bis(fluoromethyl)nitrous amide
SMILESO=NN(CF)CF
InChIInChI=1S/C2H4F2N2O/c3-1-6(2-4)5-7/h1-2H2
InChIKeyZCDDNHHYNNSQEM-UHFFFAOYSA-N
XLogP0.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.06
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2,2-dimethylpropyl)nitrous amide
CID 87559088
2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
CID 172967660
N-[2-(dimethylamino)ethyl]-N-ethylnitrous amide
CID 156620436
N,N-dibutylnitrous amide;N,N-dimethylnitrous amide
CID 159809531
N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide
CID 126456058
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
CID 175674488
1-fluoro-N,N-bis(fluoromethyl)methanamine
CID 22605203
N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
CID 126705131
N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
3-[ethyl(nitroso)amino]propanamide
CID 172967454
N-propyl-N-(3,3,3-trihydroxypropyl)nitrous amide
CID 140609588
fluoromethyl nitrite
CID 174638091

Frequently Asked Questions

What is the IUPAC name of N,N-bis(fluoromethyl)nitrous amide?
The IUPAC name of N,N-bis(fluoromethyl)nitrous amide (CID 172967708) is N,N-bis(fluoromethyl)nitrous amide.
What is the SMILES notation for N,N-bis(fluoromethyl)nitrous amide?
The canonical SMILES for N,N-bis(fluoromethyl)nitrous amide is O=NN(CF)CF.
What is the InChIKey of N,N-bis(fluoromethyl)nitrous amide?
The InChIKey is ZCDDNHHYNNSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2N2O/c3-1-6(2-4)5-7/h1-2H2.
What are the key properties of N,N-bis(fluoromethyl)nitrous amide?
N,N-bis(fluoromethyl)nitrous amide has a molecular weight of 110.06 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(fluoromethyl)nitrous amide is sourced from PubChem (CID 172967708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).