2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide

C11H5F10NO — CID 17071374

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10NO/c12-8(13,10(17,18)11(19,20)21)7(23)22-6-3-1-5(2-4-6)9(14,15)16/h1-4H,(H,22,23)
InChIKeyYGHKLYPAPXYXJL-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.48
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 17071374) has the molecular formula C11H5F10NO and a molecular weight of 357.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID17071374
Molecular FormulaC11H5F10NO
Molecular Weight357.15 g/mol
Exact Mass357.02
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10NO/c12-8(13,10(17,18)11(19,20)21)7(23)22-6-3-1-5(2-4-6)9(14,15)16/h1-4H,(H,22,23)
InChIKeyYGHKLYPAPXYXJL-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.48
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

2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3604613
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
N-(4-cyanophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3376836
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide (CID 17071374) is 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is YGHKLYPAPXYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F10NO/c12-8(13,10(17,18)11(19,20)21)7(23)22-6-3-1-5(2-4-6)9(14,15)16/h1-4H,(H,22,23).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 357.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 17071374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).