N,2,2,3,3,4,4,4-octafluorobutanamide

C4HF8NO — CID 158794425

IUPACN,2,2,3,3,4,4,4-octafluorobutanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF8NO/c5-2(6,1(14)13-12)3(7,8)4(9,10)11/h(H,13,14)
InChIKeyYGXQPYMBNYBTPF-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.82
Rot. Bonds2

About N,2,2,3,3,4,4,4-octafluorobutanamide

N,2,2,3,3,4,4,4-octafluorobutanamide (PubChem CID 158794425) has the molecular formula C4HF8NO and a molecular weight of 231.04 g/mol. Its IUPAC name is N,2,2,3,3,4,4,4-octafluorobutanamide.

Molecular Properties

Compound NameN,2,2,3,3,4,4,4-octafluorobutanamide
PubChem CID158794425
Molecular FormulaC4HF8NO
Molecular Weight231.04 g/mol
Exact Mass230.99
IUPAC NameN,2,2,3,3,4,4,4-octafluorobutanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF8NO/c5-2(6,1(14)13-12)3(7,8)4(9,10)11/h(H,13,14)
InChIKeyYGXQPYMBNYBTPF-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2,3,3,4,4,4-octafluorobutanamide?
The IUPAC name of N,2,2,3,3,4,4,4-octafluorobutanamide (CID 158794425) is N,2,2,3,3,4,4,4-octafluorobutanamide.
What is the SMILES notation for N,2,2,3,3,4,4,4-octafluorobutanamide?
The canonical SMILES for N,2,2,3,3,4,4,4-octafluorobutanamide is O=C(NF)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,2,2,3,3,4,4,4-octafluorobutanamide?
The InChIKey is YGXQPYMBNYBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF8NO/c5-2(6,1(14)13-12)3(7,8)4(9,10)11/h(H,13,14).
What are the key properties of N,2,2,3,3,4,4,4-octafluorobutanamide?
N,2,2,3,3,4,4,4-octafluorobutanamide has a molecular weight of 231.04 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3,3,4,4,4-octafluorobutanamide is sourced from PubChem (CID 158794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).