N-benzhydryl-1,1,1-trifluoromethanamine

C14H12F3N — CID 70275590

IUPACN-benzhydryl-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyFKEXSKQUIZOOJU-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.89
Rot. Bonds3

About N-benzhydryl-1,1,1-trifluoromethanamine

N-benzhydryl-1,1,1-trifluoromethanamine (PubChem CID 70275590) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-benzhydryl-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-benzhydryl-1,1,1-trifluoromethanamine
PubChem CID70275590
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-benzhydryl-1,1,1-trifluoromethanamine
SMILESFC(F)(F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyFKEXSKQUIZOOJU-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,1,1-trifluoromethanamine?
The IUPAC name of N-benzhydryl-1,1,1-trifluoromethanamine (CID 70275590) is N-benzhydryl-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-benzhydryl-1,1,1-trifluoromethanamine?
The canonical SMILES for N-benzhydryl-1,1,1-trifluoromethanamine is FC(F)(F)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1,1,1-trifluoromethanamine?
The InChIKey is FKEXSKQUIZOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,18H.
What are the key properties of N-benzhydryl-1,1,1-trifluoromethanamine?
N-benzhydryl-1,1,1-trifluoromethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,1,1-trifluoromethanamine is sourced from PubChem (CID 70275590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).