2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride

C10H9Cl2F6NO — CID 87486222

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO.2ClH/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16;;/h1-2,4H,3H2,(H2,17,18);2*1H
InChIKeyLOTQUOBQSZWNER-UHFFFAOYSA-N
MW344.08 g/mol
LogP3.60
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride

2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride (PubChem CID 87486222) has the molecular formula C10H9Cl2F6NO and a molecular weight of 344.08 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
PubChem CID87486222
Molecular FormulaC10H9Cl2F6NO
Molecular Weight344.08 g/mol
Exact Mass343.00
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO.2ClH/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16;;/h1-2,4H,3H2,(H2,17,18);2*1H
InChIKeyLOTQUOBQSZWNER-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.08
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 130381501
ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate
CID 18370574
N'-[[3,5-bis(trifluoromethyl)phenyl]methyl]butanediamide
CID 143135379
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]propan-2-one;ethene
CID 142885636
2-[3,4-bis(trifluoromethyl)phenyl]acetamide
CID 87509957
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
(2R)-2-amino-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-sulfanylpropanoic acid;hydrochloride
CID 46838904
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
3-[3,5-bis(trifluoromethyl)phenyl]but-3-enamide
CID 99942324

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride (CID 87486222) is 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride is Cl.Cl.NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is LOTQUOBQSZWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO.2ClH/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16;;/h1-2,4H,3H2,(H2,17,18);2*1H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride?
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 344.08 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 87486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).