2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C12H10ClF6NO — CID 166414663

IUPAC2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCN(C(=O)CCl)C(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H10ClF6NO/c1-20(9(21)6-13)10(12(17,18)19)7-3-2-4-8(5-7)11(14,15)16/h2-5,10H,6H2,1H3
InChIKeyAPKZGHATZLTTHD-UHFFFAOYSA-N
MW333.66 g/mol
LogP4.01
Rot. Bonds3

About 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 166414663) has the molecular formula C12H10ClF6NO and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID166414663
Molecular FormulaC12H10ClF6NO
Molecular Weight333.66 g/mol
Exact Mass333.04
IUPAC Name2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCN(C(=O)CCl)C(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H10ClF6NO/c1-20(9(21)6-13)10(12(17,18)19)7-3-2-4-8(5-7)11(14,15)16/h2-5,10H,6H2,1H3
InChIKeyAPKZGHATZLTTHD-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 119581679
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
1-bromo-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 59713016
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 166414663) is 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CN(C(=O)CCl)C(c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is APKZGHATZLTTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF6NO/c1-20(9(21)6-13)10(12(17,18)19)7-3-2-4-8(5-7)11(14,15)16/h2-5,10H,6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 333.66 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 166414663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).