N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C12H22F3NO — CID 78866720

IUPACN-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-5-6-7-16(9-12(13,14)15)10(17)8-11(2,3)4/h5-9H2,1-4H3
InChIKeyKAHZIZDZFVCUGU-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.61
Rot. Bonds5

About N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 78866720) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID78866720
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-5-6-7-16(9-12(13,14)15)10(17)8-11(2,3)4/h5-9H2,1-4H3
InChIKeyKAHZIZDZFVCUGU-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 78866720) is N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is KAHZIZDZFVCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-5-6-7-16(9-12(13,14)15)10(17)8-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 253.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 78866720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).