2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide

C13H14F5NO3 — CID 122146702

IUPAC2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(F)c(C(C)NC(=O)C(F)(F)C(F)F)cc1OC
InChIInChI=1S/C13H14F5NO3/c1-6(19-12(20)13(17,18)11(15)16)7-4-9(21-2)10(22-3)5-8(7)14/h4-6,11H,1-3H3,(H,19,20)
InChIKeyRVDUPXOWOKKNIM-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.92
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 122146702) has the molecular formula C13H14F5NO3 and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID122146702
Molecular FormulaC13H14F5NO3
Molecular Weight327.25 g/mol
Exact Mass327.09
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(F)c(C(C)NC(=O)C(F)(F)C(F)F)cc1OC
InChIInChI=1S/C13H14F5NO3/c1-6(19-12(20)13(17,18)11(15)16)7-4-9(21-2)10(22-3)5-8(7)14/h4-6,11H,1-3H3,(H,19,20)
InChIKeyRVDUPXOWOKKNIM-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 102557200
methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 99808014
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732061
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
CID 134068445
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
CID 119324653
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
5-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466504
3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002190

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide (CID 122146702) is 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide is COc1cc(F)c(C(C)NC(=O)C(F)(F)C(F)F)cc1OC.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is RVDUPXOWOKKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO3/c1-6(19-12(20)13(17,18)11(15)16)7-4-9(21-2)10(22-3)5-8(7)14/h4-6,11H,1-3H3,(H,19,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 327.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 122146702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).