2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide

C10H5F8NO — CID 103733506

IUPAC2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)C(F)(F)C(F)F
InChIInChI=1S/C10H5F8NO/c11-5-2-1-4(10(16,17)18)3-6(5)19-8(20)9(14,15)7(12)13/h1-3,7H,(H,19,20)
InChIKeyVYYXAJLJTWXBEM-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.68
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 103733506) has the molecular formula C10H5F8NO and a molecular weight of 307.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID103733506
Molecular FormulaC10H5F8NO
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC Name2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)C(F)(F)C(F)F
InChIInChI=1S/C10H5F8NO/c11-5-2-1-4(10(16,17)18)3-6(5)19-8(20)9(14,15)7(12)13/h1-3,7H,(H,19,20)
InChIKeyVYYXAJLJTWXBEM-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.68
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-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
2-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037558
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79207710
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide (CID 103733506) is 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide is O=C(Nc1cc(C(F)(F)F)ccc1F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VYYXAJLJTWXBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F8NO/c11-5-2-1-4(10(16,17)18)3-6(5)19-8(20)9(14,15)7(12)13/h1-3,7H,(H,19,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 307.14 g/mol, XLogP of 3.68, 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-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 103733506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).