2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide

C12H9F8NO2 — CID 4521751

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
SMILESCOc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H9F8NO2/c1-23-7-4-2-3-6(5-7)21-9(22)11(17,18)12(19,20)10(15,16)8(13)14/h2-5,8H,1H3,(H,21,22)
InChIKeyYTJKLRZHLGRUHX-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.80
Rot. Bonds6

About 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide

2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide (PubChem CID 4521751) has the molecular formula C12H9F8NO2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
PubChem CID4521751
Molecular FormulaC12H9F8NO2
Molecular Weight351.19 g/mol
Exact Mass351.05
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
SMILESCOc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H9F8NO2/c1-23-7-4-2-3-6(5-7)21-9(22)11(17,18)12(19,20)10(15,16)8(13)14/h2-5,8H,1H3,(H,21,22)
InChIKeyYTJKLRZHLGRUHX-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
CID 4621112
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
CID 91220248
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
N-(4-anilinophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4120974
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide (CID 4521751) is 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide is COc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide?
The InChIKey is YTJKLRZHLGRUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F8NO2/c1-23-7-4-2-3-6(5-7)21-9(22)11(17,18)12(19,20)10(15,16)8(13)14/h2-5,8H,1H3,(H,21,22).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide?
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide has a molecular weight of 351.19 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide is sourced from PubChem (CID 4521751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).