N-benzyl-3,3,3-trifluoropropan-1-amine

C10H12F3N — CID 12967648

IUPACN-benzyl-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1ccccc1
InChIInChI=1S/C10H12F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyABZBPAZWTDQHLE-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.73
Rot. Bonds4

About N-benzyl-3,3,3-trifluoropropan-1-amine

N-benzyl-3,3,3-trifluoropropan-1-amine (PubChem CID 12967648) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-benzyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3,3,3-trifluoropropan-1-amine
PubChem CID12967648
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-benzyl-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1ccccc1
InChIInChI=1S/C10H12F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyABZBPAZWTDQHLE-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-benzyl-3,3,3-trifluoropropan-1-amine (CID 12967648) is N-benzyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-benzyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-benzyl-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is ABZBPAZWTDQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2.
What are the key properties of N-benzyl-3,3,3-trifluoropropan-1-amine?
N-benzyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 12967648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).