N-tert-butyl-4,4,4-trifluorobutanamide

C8H14F3NO — CID 14324576

IUPACN-tert-butyl-4,4,4-trifluorobutanamide
SMILESCC(C)(C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)12-6(13)4-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyDFWSMZGZYZRPNF-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.24
Rot. Bonds2

About N-tert-butyl-4,4,4-trifluorobutanamide

N-tert-butyl-4,4,4-trifluorobutanamide (PubChem CID 14324576) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-tert-butyl-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-tert-butyl-4,4,4-trifluorobutanamide
PubChem CID14324576
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-tert-butyl-4,4,4-trifluorobutanamide
SMILESCC(C)(C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)12-6(13)4-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyDFWSMZGZYZRPNF-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4,4-trifluorobutanamide?
The IUPAC name of N-tert-butyl-4,4,4-trifluorobutanamide (CID 14324576) is N-tert-butyl-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-tert-butyl-4,4,4-trifluorobutanamide?
The canonical SMILES for N-tert-butyl-4,4,4-trifluorobutanamide is CC(C)(C)NC(=O)CCC(F)(F)F.
What is the InChIKey of N-tert-butyl-4,4,4-trifluorobutanamide?
The InChIKey is DFWSMZGZYZRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,3)12-6(13)4-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-4,4,4-trifluorobutanamide?
N-tert-butyl-4,4,4-trifluorobutanamide has a molecular weight of 197.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4,4-trifluorobutanamide is sourced from PubChem (CID 14324576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).