N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide

C9H14F3NO2 — CID 62727320

IUPACN-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-13(8(14)9(10,11)12)6-7-4-3-5-15-7/h7H,2-6H2,1H3
InChIKeyOOOVCKKZDGNJMR-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide

N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 62727320) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
PubChem CID62727320
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-2-13(8(14)9(10,11)12)6-7-4-3-5-15-7/h7H,2-6H2,1H3
InChIKeyOOOVCKKZDGNJMR-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
2-(ethylamino)-2-methyl-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 62836813
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (CID 62727320) is N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide is CCN(CC1CCCO1)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OOOVCKKZDGNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-13(8(14)9(10,11)12)6-7-4-3-5-15-7/h7H,2-6H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 62727320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).