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

C7H11ClF3NO — CID 130236724

IUPAC1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride
SMILESCl.NC1(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)2-1-5(12)6(11)3-4-6;/h1-4,11H2;1H
InChIKeyCWEBUSJBXQZCHP-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.81
Rot. Bonds3

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

1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride (PubChem CID 130236724) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride
PubChem CID130236724
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride
SMILESCl.NC1(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)2-1-5(12)6(11)3-4-6;/h1-4,11H2;1H
InChIKeyCWEBUSJBXQZCHP-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.81
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;hydrochloride?
The IUPAC name of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride (CID 130236724) is 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride?
The canonical SMILES for 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride is Cl.NC1(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride?
The InChIKey is CWEBUSJBXQZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)2-1-5(12)6(11)3-4-6;/h1-4,11H2;1H.
What are the key properties of 1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride?
1-(1-aminocyclopropyl)-4,4,4-trifluorobutan-1-one;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 1.81, 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;hydrochloride is sourced from PubChem (CID 130236724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).