1-cyclopropyl-5,5,5-trifluoropentan-2-amine

C8H14F3N — CID 79952888

IUPAC1-cyclopropyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-3-7(12)5-6-1-2-6/h6-7H,1-5,12H2
InChIKeyOBOYGLUQOWEPJN-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopropyl-5,5,5-trifluoropentan-2-amine

1-cyclopropyl-5,5,5-trifluoropentan-2-amine (PubChem CID 79952888) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-cyclopropyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5,5,5-trifluoropentan-2-amine
PubChem CID79952888
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-cyclopropyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-3-7(12)5-6-1-2-6/h6-7H,1-5,12H2
InChIKeyOBOYGLUQOWEPJN-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-cyclopropyl-5,5,5-trifluoropentan-2-amine (CID 79952888) is 1-cyclopropyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-cyclopropyl-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)CC1CC1.
What is the InChIKey of 1-cyclopropyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is OBOYGLUQOWEPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)4-3-7(12)5-6-1-2-6/h6-7H,1-5,12H2.
What are the key properties of 1-cyclopropyl-5,5,5-trifluoropentan-2-amine?
1-cyclopropyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).