N-(4,4,4-trifluorobutan-2-yl)butanamide

C8H14F3NO — CID 104854905

IUPACN-(4,4,4-trifluorobutan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-7(13)12-6(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGFYPJUYVHBKVBU-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.24
Rot. Bonds4

About N-(4,4,4-trifluorobutan-2-yl)butanamide

N-(4,4,4-trifluorobutan-2-yl)butanamide (PubChem CID 104854905) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)butanamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)butanamide
PubChem CID104854905
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-7(13)12-6(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGFYPJUYVHBKVBU-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 104854854
N-hexan-2-ylbutanamide
CID 64592038
N-(1-chloro-2,2,2-trifluoroethyl)butanamide
CID 122468683
N-(6-methylheptan-2-yl)butanamide
CID 60644759
ethane;N-propan-2-ylbutanamide
CID 169175258
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040
N-(5-bromopentan-2-yl)butanamide
CID 114316345
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
CID 115283442
tert-butyl (3R)-3-(butanoylamino)butanoate
CID 149206745
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721516
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)butanamide?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)butanamide (CID 104854905) is N-(4,4,4-trifluorobutan-2-yl)butanamide.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)butanamide?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)butanamide is CCCC(=O)NC(C)CC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)butanamide?
The InChIKey is GFYPJUYVHBKVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-4-7(13)12-6(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)butanamide?
N-(4,4,4-trifluorobutan-2-yl)butanamide has a molecular weight of 197.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)butanamide is sourced from PubChem (CID 104854905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).