2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide

C10HClF11NO — CID 71672760

IUPAC2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10HClF11NO/c11-8(9(17,18)19,10(20,21)22)7(24)23-6-4(15)2(13)1(12)3(14)5(6)16/h(H,23,24)
InChIKeyORUITRNVFFXVHZ-UHFFFAOYSA-N
MW395.56 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide

2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide (PubChem CID 71672760) has the molecular formula C10HClF11NO and a molecular weight of 395.56 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide
PubChem CID71672760
Molecular FormulaC10HClF11NO
Molecular Weight395.56 g/mol
Exact Mass394.96
IUPAC Name2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10HClF11NO/c11-8(9(17,18)19,10(20,21)22)7(24)23-6-4(15)2(13)1(12)3(14)5(6)16/h(H,23,24)
InChIKeyORUITRNVFFXVHZ-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
S-[(2,3,4,5,6-pentafluorophenyl)carbamoyl] N-(2,3,4,5,6-pentafluorophenyl)carbamothioate
CID 87473950
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2,2,2-trifluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 169302963
5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
CID 163154723
CID 87918969
CID 87918969
methyl 2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 13024469
3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113336694
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19554159
2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113225588
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide (CID 71672760) is 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide?
The InChIKey is ORUITRNVFFXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HClF11NO/c11-8(9(17,18)19,10(20,21)22)7(24)23-6-4(15)2(13)1(12)3(14)5(6)16/h(H,23,24).
What are the key properties of 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide has a molecular weight of 395.56 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,3-trifluoro-N-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).