4,4,4-trifluoro-3-methyl-N-propylbutanamide

C8H14F3NO — CID 162623070

IUPAC4,4,4-trifluoro-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)CC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-12-7(13)5-6(2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyNKSHLRSFYPLCOE-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds4

About 4,4,4-trifluoro-3-methyl-N-propylbutanamide

4,4,4-trifluoro-3-methyl-N-propylbutanamide (PubChem CID 162623070) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-propylbutanamide
PubChem CID162623070
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4,4,4-trifluoro-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)CC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-12-7(13)5-6(2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyNKSHLRSFYPLCOE-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-N-propylpentanamide
CID 89425193
3-methyl-N-propylhexanamide
CID 143315126
3-cyano-N-propylbutanamide
CID 82111211
4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66429516
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
3,4-diamino-N-propylbutanamide
CID 66426337
2-iodo-N-propylpropanamide
CID 64787589
methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
CID 162025713
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
3-bromo-N-propylpropanamide
CID 12680973
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-propylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-propylbutanamide (CID 162623070) is 4,4,4-trifluoro-3-methyl-N-propylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-propylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-propylbutanamide is CCCNC(=O)CC(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-propylbutanamide?
The InChIKey is NKSHLRSFYPLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-4-12-7(13)5-6(2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4,4,4-trifluoro-3-methyl-N-propylbutanamide?
4,4,4-trifluoro-3-methyl-N-propylbutanamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-propylbutanamide is sourced from PubChem (CID 162623070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).