N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide

C8H10ClF6NO — CID 5171523

IUPACN-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide
SMILESCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO/c1-3-4(2)16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyBWLPVMISYUIYJR-UHFFFAOYSA-N
MW285.62 g/mol
LogP3.00
Rot. Bonds5

About N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide

N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide (PubChem CID 5171523) has the molecular formula C8H10ClF6NO and a molecular weight of 285.62 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide
PubChem CID5171523
Molecular FormulaC8H10ClF6NO
Molecular Weight285.62 g/mol
Exact Mass285.04
IUPAC NameN-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide
SMILESCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO/c1-3-4(2)16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyBWLPVMISYUIYJR-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide?
The IUPAC name of N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide (CID 5171523) is N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide?
The canonical SMILES for N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide is CCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide?
The InChIKey is BWLPVMISYUIYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF6NO/c1-3-4(2)16-5(17)6(10,11)7(12,13)8(9,14)15/h4H,3H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide?
N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide has a molecular weight of 285.62 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-2,2,3,3,4,4-hexafluorobutanamide is sourced from PubChem (CID 5171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).