2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H15F6NO — CID 135260116

IUPAC2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)CCN(CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c1-3-7(2)4-5-17(6-9(11,12)13)8(18)10(14,15)16/h7H,3-6H2,1-2H3
InChIKeyRGDZMHSIWDIFAU-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.38
Rot. Bonds5

About 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide

2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 135260116) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID135260116
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC Name2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)CCN(CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c1-3-7(2)4-5-17(6-9(11,12)13)8(18)10(14,15)16/h7H,3-6H2,1-2H3
InChIKeyRGDZMHSIWDIFAU-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)-(2,2,2-trifluoroethyl)amino]ethyl]carbamate
CID 86650775
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107358309
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107492651
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492479
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 135260116) is 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide is CCC(C)CCN(CC(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RGDZMHSIWDIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c1-3-7(2)4-5-17(6-9(11,12)13)8(18)10(14,15)16/h7H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide?
2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.22 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 135260116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).