2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide

C10H6F7NO2 — CID 103732361

IUPAC2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C10H6F7NO2/c11-7(12)9(13,14)8(19)18-5-3-1-2-4-6(5)20-10(15,16)17/h1-4,7H,(H,18,19)
InChIKeyYHBDQEPKHOSLGO-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.42
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 103732361) has the molecular formula C10H6F7NO2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID103732361
Molecular FormulaC10H6F7NO2
Molecular Weight305.15 g/mol
Exact Mass305.03
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C10H6F7NO2/c11-7(12)9(13,14)8(19)18-5-3-1-2-4-6(5)20-10(15,16)17/h1-4,7H,(H,18,19)
InChIKeyYHBDQEPKHOSLGO-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.42
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

N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 103733060
2,2,2-trifluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]acetamide
CID 88921988
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(2-amino-2-oxoethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732853
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 103732361) is 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide is O=C(Nc1ccccc1OC(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is YHBDQEPKHOSLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7NO2/c11-7(12)9(13,14)8(19)18-5-3-1-2-4-6(5)20-10(15,16)17/h1-4,7H,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 305.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 103732361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).