N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide

C10H4Cl2F7NO2 — CID 5195102

IUPACN-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C10H4Cl2F7NO2/c11-5-2-1-4(3-6(5)12)20-7(21)8(13,14)9(15,16)22-10(17,18)19/h1-3H,(H,20,21)
InChIKeyFRHCQSBLZIFEKX-UHFFFAOYSA-N
MW374.04 g/mol
LogP4.70
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide

N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide (PubChem CID 5195102) has the molecular formula C10H4Cl2F7NO2 and a molecular weight of 374.04 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
PubChem CID5195102
Molecular FormulaC10H4Cl2F7NO2
Molecular Weight374.04 g/mol
Exact Mass372.95
IUPAC NameN-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C10H4Cl2F7NO2/c11-5-2-1-4(3-6(5)12)20-7(21)8(13,14)9(15,16)22-10(17,18)19/h1-3H,(H,20,21)
InChIKeyFRHCQSBLZIFEKX-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 54.70
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

N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
N-(2,6-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109818
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
methyl (Z)-3-(3,4-dichloroanilino)but-2-enoate
CID 139239204
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
CID 142053542
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 2902173

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide (CID 5195102) is N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide?
The InChIKey is FRHCQSBLZIFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F7NO2/c11-5-2-1-4(3-6(5)12)20-7(21)8(13,14)9(15,16)22-10(17,18)19/h1-3H,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide?
N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide has a molecular weight of 374.04 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide is sourced from PubChem (CID 5195102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).