N,N-bis(fluoromethyl)acetamide

C4H7F2NO — CID 87765028

IUPACN,N-bis(fluoromethyl)acetamide
SMILESCC(=O)N(CF)CF
InChIInChI=1S/C4H7F2NO/c1-4(8)7(2-5)3-6/h2-3H2,1H3
InChIKeyJNPKFTXMDKBPJM-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.69
Rot. Bonds2

About N,N-bis(fluoromethyl)acetamide

N,N-bis(fluoromethyl)acetamide (PubChem CID 87765028) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is N,N-bis(fluoromethyl)acetamide.

Molecular Properties

Compound NameN,N-bis(fluoromethyl)acetamide
PubChem CID87765028
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC NameN,N-bis(fluoromethyl)acetamide
SMILESCC(=O)N(CF)CF
InChIInChI=1S/C4H7F2NO/c1-4(8)7(2-5)3-6/h2-3H2,1H3
InChIKeyJNPKFTXMDKBPJM-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(fluoromethyl)acetamide?
The IUPAC name of N,N-bis(fluoromethyl)acetamide (CID 87765028) is N,N-bis(fluoromethyl)acetamide.
What is the SMILES notation for N,N-bis(fluoromethyl)acetamide?
The canonical SMILES for N,N-bis(fluoromethyl)acetamide is CC(=O)N(CF)CF.
What is the InChIKey of N,N-bis(fluoromethyl)acetamide?
The InChIKey is JNPKFTXMDKBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c1-4(8)7(2-5)3-6/h2-3H2,1H3.
What are the key properties of N,N-bis(fluoromethyl)acetamide?
N,N-bis(fluoromethyl)acetamide has a molecular weight of 123.10 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(fluoromethyl)acetamide is sourced from PubChem (CID 87765028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).