N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine

C9H19F2N — CID 130397314

IUPACN-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)NC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-7(2,3)9(10,11)12-8(4,5)6/h12H,1-6H3
InChIKeyYFGQMMBVBPYTLU-UHFFFAOYSA-N
MW179.25 g/mol
LogP3.01
Rot. Bonds1

About N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine

N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine (PubChem CID 130397314) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine
PubChem CID130397314
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)NC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-7(2,3)9(10,11)12-8(4,5)6/h12H,1-6H3
InChIKeyYFGQMMBVBPYTLU-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine (CID 130397314) is N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine is CC(C)(C)NC(F)(F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine?
The InChIKey is YFGQMMBVBPYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-7(2,3)9(10,11)12-8(4,5)6/h12H,1-6H3.
What are the key properties of N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine?
N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-difluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130397314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).