1,1-difluoro-N,N-dimethyl-1-phenylmethanamine

C9H11F2N — CID 10464747

IUPAC1,1-difluoro-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2N/c1-12(2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyUPHVQJVMNHQOMX-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.30
Rot. Bonds2

About 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine

1,1-difluoro-N,N-dimethyl-1-phenylmethanamine (PubChem CID 10464747) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethyl-1-phenylmethanamine
PubChem CID10464747
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1,1-difluoro-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(F)(F)c1ccccc1
InChIInChI=1S/C9H11F2N/c1-12(2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyUPHVQJVMNHQOMX-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.30
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 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine (CID 10464747) is 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine is CN(C)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is UPHVQJVMNHQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-12(2)9(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine?
1,1-difluoro-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 10464747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).