N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide

C9H16F3NO — CID 89418202

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-6(8(2,3)4)13-7(14)5-9(10,11)12/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyKRCGPGUDMURNKF-LURJTMIESA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds2

About N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide

N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 89418202) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
PubChem CID89418202
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-6(8(2,3)4)13-7(14)5-9(10,11)12/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1
InChIKeyKRCGPGUDMURNKF-LURJTMIESA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
CID 87159632
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 3516856
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-butan-2-yl-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 3630421
N-butyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236019
N-cyclopentyl-3,3-difluoro-2,2-dimethylpropanamide
CID 124291953
2,2,2-trifluoro-N-[(3R)-2-methylpentan-3-yl]acetamide
CID 12119500
N-[(2S)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742933

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide (CID 89418202) is N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide is C[C@H](NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is KRCGPGUDMURNKF-LURJTMIESA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(8(2,3)4)13-7(14)5-9(10,11)12/h6H,5H2,1-4H3,(H,13,14)/t6-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 211.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 89418202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).