2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide

C14H16F3NO3 — CID 87238776

IUPAC2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide
SMILESCC1(CCc2cccc(NC(=O)C(F)(F)F)c2)OCCO1
InChIInChI=1S/C14H16F3NO3/c1-13(20-7-8-21-13)6-5-10-3-2-4-11(9-10)18-12(19)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyXHLODDZRRNEXHO-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.88
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide (PubChem CID 87238776) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide
PubChem CID87238776
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide
SMILESCC1(CCc2cccc(NC(=O)C(F)(F)F)c2)OCCO1
InChIInChI=1S/C14H16F3NO3/c1-13(20-7-8-21-13)6-5-10-3-2-4-11(9-10)18-12(19)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyXHLODDZRRNEXHO-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
CID 82996693
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933360
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 114262654
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide (CID 87238776) is 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide is CC1(CCc2cccc(NC(=O)C(F)(F)F)c2)OCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide?
The InChIKey is XHLODDZRRNEXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-13(20-7-8-21-13)6-5-10-3-2-4-11(9-10)18-12(19)14(15,16)17/h2-4,9H,5-8H2,1H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 87238776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).