N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide

C14H17F4NO — CID 103733000

IUPACN-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C14H17F4NO/c1-13(2,3)10(9-7-5-4-6-8-9)19-12(20)14(17,18)11(15)16/h4-8,10-11H,1-3H3,(H,19,20)
InChIKeyOOJJHYQBRHOOCV-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.79
Rot. Bonds4

About N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide

N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733000) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733000
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C14H17F4NO/c1-13(2,3)10(9-7-5-4-6-8-9)19-12(20)14(17,18)11(15)16/h4-8,10-11H,1-3H3,(H,19,20)
InChIKeyOOJJHYQBRHOOCV-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.79
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-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
3-phenyl-3-(2,2,3,3-tetrafluoropropanoylamino)propanoic acid
CID 103804023
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
CID 63523885
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
(3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 121412414
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide (CID 103733000) is N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide is CC(C)(C)C(NC(=O)C(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is OOJJHYQBRHOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-13(2,3)10(9-7-5-4-6-8-9)19-12(20)14(17,18)11(15)16/h4-8,10-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide?
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 291.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).