2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide

C12H14F3NO — CID 4564814

IUPAC2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyMDBNHAHKSSMQME-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide

2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4564814) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4564814
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyMDBNHAHKSSMQME-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide (CID 4564814) is 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is MDBNHAHKSSMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide?
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.69, 4 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-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4564814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).