N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide

C7H12F3NO — CID 87159632

IUPACN-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)6(7(8,9)10)11-5(3)12/h4,6H,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyKSYXQURBBIJCGO-ZCFIWIBFSA-N
MW183.17 g/mol
LogP1.71
Rot. Bonds2

About N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide

N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide (PubChem CID 87159632) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
PubChem CID87159632
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)6(7(8,9)10)11-5(3)12/h4,6H,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyKSYXQURBBIJCGO-ZCFIWIBFSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide (CID 87159632) is N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide is CC(=O)N[C@H](C(C)C)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The InChIKey is KSYXQURBBIJCGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)6(7(8,9)10)11-5(3)12/h4,6H,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide has a molecular weight of 183.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 87159632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).