N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

C11H9F6NO — CID 103732061

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H9F6NO/c1-5(7-3-2-6(12)4-8(7)13)18-10(19)11(16,17)9(14)15/h2-5,9H,1H3,(H,18,19)
InChIKeyJBZCMYQCGSHQOS-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732061) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732061
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H9F6NO/c1-5(7-3-2-6(12)4-8(7)13)18-10(19)11(16,17)9(14)15/h2-5,9H,1H3,(H,18,19)
InChIKeyJBZCMYQCGSHQOS-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.04
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-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992980
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103732061) is N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is CC(NC(=O)C(F)(F)C(F)F)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is JBZCMYQCGSHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-5(7-3-2-6(12)4-8(7)13)18-10(19)11(16,17)9(14)15/h2-5,9H,1H3,(H,18,19).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 285.19 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).