2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide

C9H6F5NO — CID 103731851

IUPAC2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H6F5NO/c10-5-1-3-6(4-2-5)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16)
InChIKeyBDFGXAGMBCONPW-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.66
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide

2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide (PubChem CID 103731851) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
PubChem CID103731851
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC Name2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H6F5NO/c10-5-1-3-6(4-2-5)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16)
InChIKeyBDFGXAGMBCONPW-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.66
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-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
CID 114032743
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
CID 103731896
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
N-(2,3-dihydro-1H-indol-5-yl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119473799
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
CID 103731825
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide (CID 103731851) is 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide is O=C(Nc1ccc(F)cc1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide?
The InChIKey is BDFGXAGMBCONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c10-5-1-3-6(4-2-5)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide?
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide has a molecular weight of 239.14 g/mol, XLogP of 2.66, 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-tetrafluoro-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 103731851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).