1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one

C8H12F3NO — CID 116576659

IUPAC1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one
SMILESNC1(C(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-1-2-6(13)7(12)4-5-7/h1-5,12H2
InChIKeyRWLIHTXGPAQZIB-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.78
Rot. Bonds4

About 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one

1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one (PubChem CID 116576659) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one
PubChem CID116576659
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one
SMILESNC1(C(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)3-1-2-6(13)7(12)4-5-7/h1-5,12H2
InChIKeyRWLIHTXGPAQZIB-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one (CID 116576659) is 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one is NC1(C(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is RWLIHTXGPAQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)3-1-2-6(13)7(12)4-5-7/h1-5,12H2.
What are the key properties of 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one?
1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 195.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 116576659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).