2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide

C14H12F3NO — CID 19963458

IUPAC2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
SMILESO=C(NCCc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(19)18-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2,(H,18,19)
InChIKeyMXIOVGQZWVFLCR-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.06
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide

2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide (PubChem CID 19963458) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
PubChem CID19963458
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
SMILESO=C(NCCc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(19)18-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2,(H,18,19)
InChIKeyMXIOVGQZWVFLCR-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 58723639
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 86611680
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
(E)-4-(2-naphthalen-2-ylethylamino)-4-oxobut-2-enoic acid
CID 115177298
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate
CID 67871942
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide (CID 19963458) is 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide is O=C(NCCc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide?
The InChIKey is MXIOVGQZWVFLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)13(19)18-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide has a molecular weight of 267.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 19963458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).