5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one

C8H14F3NO — CID 116554978

IUPAC5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)12-5-7(13)3-4-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPWTCXMKNJMARHL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.90
Rot. Bonds5

About 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one

5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one (PubChem CID 116554978) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one
PubChem CID116554978
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)12-5-7(13)3-4-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPWTCXMKNJMARHL-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one (CID 116554978) is 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one is CC(C)NCC(=O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one?
The InChIKey is PWTCXMKNJMARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)12-5-7(13)3-4-8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one?
5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one has a molecular weight of 197.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 116554978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).