4-(2,3,4-trifluorophenyl)pentan-2-amine

C11H14F3N — CID 64721181

IUPAC4-(2,3,4-trifluorophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3N/c1-6(5-7(2)15)8-3-4-9(12)11(14)10(8)13/h3-4,6-7H,5,15H2,1-2H3
InChIKeyFFPWDUSHBDDXCM-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.94
Rot. Bonds3

About 4-(2,3,4-trifluorophenyl)pentan-2-amine

4-(2,3,4-trifluorophenyl)pentan-2-amine (PubChem CID 64721181) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(2,3,4-trifluorophenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(2,3,4-trifluorophenyl)pentan-2-amine
PubChem CID64721181
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name4-(2,3,4-trifluorophenyl)pentan-2-amine
SMILESCC(N)CC(C)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3N/c1-6(5-7(2)15)8-3-4-9(12)11(14)10(8)13/h3-4,6-7H,5,15H2,1-2H3
InChIKeyFFPWDUSHBDDXCM-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trifluorophenyl)pentan-2-amine?
The IUPAC name of 4-(2,3,4-trifluorophenyl)pentan-2-amine (CID 64721181) is 4-(2,3,4-trifluorophenyl)pentan-2-amine.
What is the SMILES notation for 4-(2,3,4-trifluorophenyl)pentan-2-amine?
The canonical SMILES for 4-(2,3,4-trifluorophenyl)pentan-2-amine is CC(N)CC(C)c1ccc(F)c(F)c1F.
What is the InChIKey of 4-(2,3,4-trifluorophenyl)pentan-2-amine?
The InChIKey is FFPWDUSHBDDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-6(5-7(2)15)8-3-4-9(12)11(14)10(8)13/h3-4,6-7H,5,15H2,1-2H3.
What are the key properties of 4-(2,3,4-trifluorophenyl)pentan-2-amine?
4-(2,3,4-trifluorophenyl)pentan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trifluorophenyl)pentan-2-amine is sourced from PubChem (CID 64721181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).