1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one

C7H10F3NO — CID 116576718

IUPAC1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-1-5(12)6(11)3-4-6/h1-4,11H2
InChIKeyNAGWAJOSFJLRPJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.39
Rot. Bonds3

About 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one

1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one (PubChem CID 116576718) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one
PubChem CID116576718
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-1-5(12)6(11)3-4-6/h1-4,11H2
InChIKeyNAGWAJOSFJLRPJ-UHFFFAOYSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one (CID 116576718) is 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one is NC1(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one?
The InChIKey is NAGWAJOSFJLRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)2-1-5(12)6(11)3-4-6/h1-4,11H2.
What are the key properties of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one?
1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one has a molecular weight of 181.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116576718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).