N-benzyl-1,1,1-trifluoro-N-methylmethanamine

C9H10F3N — CID 5167579

IUPACN-benzyl-1,1,1-trifluoro-N-methylmethanamine
SMILESCN(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13(9(10,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyPFBCIMQMXZOABD-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.64
Rot. Bonds2

About N-benzyl-1,1,1-trifluoro-N-methylmethanamine

N-benzyl-1,1,1-trifluoro-N-methylmethanamine (PubChem CID 5167579) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-methylmethanamine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-methylmethanamine
PubChem CID5167579
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-benzyl-1,1,1-trifluoro-N-methylmethanamine
SMILESCN(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13(9(10,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyPFBCIMQMXZOABD-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1,1,1-trifluoro-N-methylmethanamine;2,3-dihydroxybutanedioic acid
CID 44889676
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
N-benzyl-4-methoxy-N-(trifluoromethyl)aniline
CID 15363788
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249
(2-fluoro-2-methylpropyl)benzene
CID 14343442
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-methylmethanamine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-methylmethanamine (CID 5167579) is N-benzyl-1,1,1-trifluoro-N-methylmethanamine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-methylmethanamine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-methylmethanamine is CN(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-methylmethanamine?
The InChIKey is PFBCIMQMXZOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13(9(10,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-methylmethanamine?
N-benzyl-1,1,1-trifluoro-N-methylmethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-N-methylmethanamine is sourced from PubChem (CID 5167579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).