N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride

C7H15ClF3N — CID 42947903

IUPACN-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N.ClH/c1-3-6(4-2)11-5-7(8,9)10;/h6,11H,3-5H2,1-2H3;1H
InChIKeyASMYOINVAOJYNM-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.75
Rot. Bonds4

About N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride

N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride (PubChem CID 42947903) has the molecular formula C7H15ClF3N and a molecular weight of 205.65 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride
PubChem CID42947903
Molecular FormulaC7H15ClF3N
Molecular Weight205.65 g/mol
Exact Mass205.08
IUPAC NameN-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride
SMILESCCC(CC)NCC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N.ClH/c1-3-6(4-2)11-5-7(8,9)10;/h6,11H,3-5H2,1-2H3;1H
InChIKeyASMYOINVAOJYNM-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride (CID 42947903) is N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride is CCC(CC)NCC(F)(F)F.Cl.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride?
The InChIKey is ASMYOINVAOJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N.ClH/c1-3-6(4-2)11-5-7(8,9)10;/h6,11H,3-5H2,1-2H3;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride?
N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride is sourced from PubChem (CID 42947903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).