N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide

C12H12F5NO — CID 91566121

IUPACN-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F5NO/c1-2-5-10(19)18-9-7-4-3-6-8(9)11(13,14)12(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,19)
InChIKeyGBGXULDPDCCGFU-UHFFFAOYSA-N
MW281.22 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide

N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide (PubChem CID 91566121) has the molecular formula C12H12F5NO and a molecular weight of 281.22 g/mol. Its IUPAC name is N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
PubChem CID91566121
Molecular FormulaC12H12F5NO
Molecular Weight281.22 g/mol
Exact Mass281.08
IUPAC NameN-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F5NO/c1-2-5-10(19)18-9-7-4-3-6-8(9)11(13,14)12(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,19)
InChIKeyGBGXULDPDCCGFU-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)butanamide
CID 849021
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-(2-bromophenyl)butanamide
CID 732405
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide?
The IUPAC name of N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide (CID 91566121) is N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide?
The canonical SMILES for N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide?
The InChIKey is GBGXULDPDCCGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO/c1-2-5-10(19)18-9-7-4-3-6-8(9)11(13,14)12(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,19).
What are the key properties of N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide?
N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide has a molecular weight of 281.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide is sourced from PubChem (CID 91566121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).