2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide

C10H10F4N2O — CID 103733324

IUPAC2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)C(F)(F)C(F)F)c1ccccn1
InChIInChI=1S/C10H10F4N2O/c1-6(7-4-2-3-5-15-7)16-9(17)10(13,14)8(11)12/h2-6,8H,1H3,(H,16,17)/t6-/m0/s1
InChIKeyXPVAUZKIBYCAPZ-LURJTMIESA-N
MW250.20 g/mol
LogP2.16
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide

2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide (PubChem CID 103733324) has the molecular formula C10H10F4N2O and a molecular weight of 250.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
PubChem CID103733324
Molecular FormulaC10H10F4N2O
Molecular Weight250.20 g/mol
Exact Mass250.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)C(F)(F)C(F)F)c1ccccn1
InChIInChI=1S/C10H10F4N2O/c1-6(7-4-2-3-5-15-7)16-9(17)10(13,14)8(11)12/h2-6,8H,1H3,(H,16,17)/t6-/m0/s1
InChIKeyXPVAUZKIBYCAPZ-LURJTMIESA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.16
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

2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
CID 120594633
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide (CID 103733324) is 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide is C[C@H](NC(=O)C(F)(F)C(F)F)c1ccccn1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The InChIKey is XPVAUZKIBYCAPZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-6(7-4-2-3-5-15-7)16-9(17)10(13,14)8(11)12/h2-6,8H,1H3,(H,16,17)/t6-/m0/s1.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide has a molecular weight of 250.20 g/mol, XLogP of 2.16, 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-[(1S)-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 103733324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).