N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide

C12H13F6NO3 — CID 78874055

IUPACN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C12H13F6NO3/c1-8(22-7-12(16,17)18)10(20)19(6-11(13,14)15)5-9-3-2-4-21-9/h2-4,8H,5-7H2,1H3
InChIKeyHWIXKRAFLWQLEE-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide

N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78874055) has the molecular formula C12H13F6NO3 and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78874055
Molecular FormulaC12H13F6NO3
Molecular Weight333.23 g/mol
Exact Mass333.08
IUPAC NameN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C12H13F6NO3/c1-8(22-7-12(16,17)18)10(20)19(6-11(13,14)15)5-9-3-2-4-21-9/h2-4,8H,5-7H2,1H3
InChIKeyHWIXKRAFLWQLEE-UHFFFAOYSA-N
XLogP3.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873434
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 55542764
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
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)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473
1-(furan-2-ylmethyl)-1-methyl-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 60595612

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide (CID 78874055) is N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide is CC(OCC(F)(F)F)C(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HWIXKRAFLWQLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO3/c1-8(22-7-12(16,17)18)10(20)19(6-11(13,14)15)5-9-3-2-4-21-9/h2-4,8H,5-7H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide?
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 333.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78874055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).