N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C12H10F7NO — CID 3604613

IUPACN-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F7NO/c1-2-7-3-5-8(6-4-7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeyJSEIJTHJKCYFSM-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.02
Rot. Bonds4

About N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 3604613) has the molecular formula C12H10F7NO and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID3604613
Molecular FormulaC12H10F7NO
Molecular Weight317.20 g/mol
Exact Mass317.07
IUPAC NameN-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H10F7NO/c1-2-7-3-5-8(6-4-7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKeyJSEIJTHJKCYFSM-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.02
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-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14253808
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
9-chloro-N-[4-[[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]phenyl]methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4104811
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-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]octanamide
CID 14253811
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 3604613) is N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is JSEIJTHJKCYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO/c1-2-7-3-5-8(6-4-7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 317.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 3604613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).