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

C7H14F3N — CID 24704116

IUPACN-(2,2,2-trifluoroethyl)pentan-3-amine
SMILESCCC(CC)NCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-3-6(4-2)11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyXEJNAPLYVAVCRW-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.33
Rot. Bonds4

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

N-(2,2,2-trifluoroethyl)pentan-3-amine (PubChem CID 24704116) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pentan-3-amine
PubChem CID24704116
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC NameN-(2,2,2-trifluoroethyl)pentan-3-amine
SMILESCCC(CC)NCC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-3-6(4-2)11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyXEJNAPLYVAVCRW-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.33
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?
The IUPAC name of N-(2,2,2-trifluoroethyl)pentan-3-amine (CID 24704116) is N-(2,2,2-trifluoroethyl)pentan-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pentan-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pentan-3-amine is CCC(CC)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pentan-3-amine?
The InChIKey is XEJNAPLYVAVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-3-6(4-2)11-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)pentan-3-amine?
N-(2,2,2-trifluoroethyl)pentan-3-amine has a molecular weight of 169.19 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 24704116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).