2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C12H10F7NO — CID 103732062

IUPAC2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F7NO/c1-6(20-10(21)11(15,16)9(13)14)7-3-2-4-8(5-7)12(17,18)19/h2-6,9H,1H3,(H,20,21)
InChIKeySJIRJHRMLXJQHB-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.78
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 103732062) has the molecular formula C12H10F7NO and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID103732062
Molecular FormulaC12H10F7NO
Molecular Weight317.20 g/mol
Exact Mass317.07
IUPAC Name2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F7NO/c1-6(20-10(21)11(15,16)9(13)14)7-3-2-4-8(5-7)12(17,18)19/h2-6,9H,1H3,(H,20,21)
InChIKeySJIRJHRMLXJQHB-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 103732062) is 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is SJIRJHRMLXJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO/c1-6(20-10(21)11(15,16)9(13)14)7-3-2-4-8(5-7)12(17,18)19/h2-6,9H,1H3,(H,20,21).
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 317.20 g/mol, XLogP of 3.78, 4 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-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 103732062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).