2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

C9H10F3NO2 — CID 62491445

IUPAC2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO2/c1-5-3-4-7(15-5)6(2)13-8(14)9(10,11)12/h3-4,6H,1-2H3,(H,13,14)
InChIKeyZKHINIVTCUZCQJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.33
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 62491445) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID62491445
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO2/c1-5-3-4-7(15-5)6(2)13-8(14)9(10,11)12/h3-4,6H,1-2H3,(H,13,14)
InChIKeyZKHINIVTCUZCQJ-UHFFFAOYSA-N
XLogP2.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 76921566
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51187726
2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 113270559
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
2-[1-(5-methylfuran-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263950
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (CID 62491445) is 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)C(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is ZKHINIVTCUZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-4-7(15-5)6(2)13-8(14)9(10,11)12/h3-4,6H,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 62491445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).