N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine

C9H7F6N — CID 23286754

IUPACN-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)N(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F6N/c10-8(11,12)16(9(13,14)15)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGVUWDIFTNXLBBB-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.53
Rot. Bonds2

About N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine

N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine (PubChem CID 23286754) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
PubChem CID23286754
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC NameN-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESFC(F)(F)N(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7F6N/c10-8(11,12)16(9(13,14)15)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGVUWDIFTNXLBBB-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine (CID 23286754) is N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine is FC(F)(F)N(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The InChIKey is GVUWDIFTNXLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c10-8(11,12)16(9(13,14)15)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
N-benzyl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine has a molecular weight of 243.15 g/mol, XLogP of 3.53, 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-(trifluoromethyl)methanamine is sourced from PubChem (CID 23286754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).