2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C11H12F6N2O2 — CID 79793559

IUPAC2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)(C(=O)N(Cc1ccco1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6N2O2/c1-9(18,11(15,16)17)8(20)19(6-10(12,13)14)5-7-3-2-4-21-7/h2-4H,5-6,18H2,1H3
InChIKeyKZTQOGMUNQLZMG-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 79793559) has the molecular formula C11H12F6N2O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID79793559
Molecular FormulaC11H12F6N2O2
Molecular Weight318.22 g/mol
Exact Mass318.08
IUPAC Name2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)(C(=O)N(Cc1ccco1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6N2O2/c1-9(18,11(15,16)17)8(20)19(6-10(12,13)14)5-7-3-2-4-21-7/h2-4H,5-6,18H2,1H3
InChIKeyKZTQOGMUNQLZMG-UHFFFAOYSA-N
XLogP2.45
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473
2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81171860
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
2-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 60947093
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 79793559) is 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(N)(C(=O)N(Cc1ccco1)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KZTQOGMUNQLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O2/c1-9(18,11(15,16)17)8(20)19(6-10(12,13)14)5-7-3-2-4-21-7/h2-4H,5-6,18H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 318.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 79793559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).