N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3NO2 — CID 112687242

IUPACN-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-5-6-15(8-11(12,13)14)10(16)7-17-9(2)3/h9H,4-8H2,1-3H3
InChIKeyIVIZSRFYFUJKKR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds7

About N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112687242) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112687242
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-5-6-15(8-11(12,13)14)10(16)7-17-9(2)3/h9H,4-8H2,1-3H3
InChIKeyIVIZSRFYFUJKKR-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
N-butyl-2-(4-iodophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55763631
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 112687242) is N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)COC(C)C.
What is the InChIKey of N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IVIZSRFYFUJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-5-6-15(8-11(12,13)14)10(16)7-17-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112687242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).