N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C10H4F9NO — CID 19958570

IUPACN-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H4F9NO/c11-8(12,13)5-2-1-4(3-6(5)9(14,15)16)20-7(21)10(17,18)19/h1-3H,(H,20,21)
InChIKeyWVGKGRMQFYQSIR-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.22
Rot. Bonds1

About N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 19958570) has the molecular formula C10H4F9NO and a molecular weight of 325.13 g/mol. Its IUPAC name is N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID19958570
Molecular FormulaC10H4F9NO
Molecular Weight325.13 g/mol
Exact Mass325.01
IUPAC NameN-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H4F9NO/c11-8(12,13)5-2-1-4(3-6(5)9(14,15)16)20-7(21)10(17,18)19/h1-3H,(H,20,21)
InChIKeyWVGKGRMQFYQSIR-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3,4-bis(trifluoromethyl)phenyl]carbamic acid
CID 91432072
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[4-(2-bromoethyl)-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 174762130
S-chloro 2-[3,4-bis(trifluoromethyl)anilino]-2-oxoethanethioate
CID 151439111
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[(5Z)-5,6-dioxido-3-[(2,2,2-trifluoroacetyl)amino]-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium-8-yl]-2,2,2-trifluoroacetamide
CID 135440164

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 19958570) is N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is WVGKGRMQFYQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F9NO/c11-8(12,13)5-2-1-4(3-6(5)9(14,15)16)20-7(21)10(17,18)19/h1-3H,(H,20,21).
What are the key properties of N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 325.13 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19958570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).