1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine

C5H7F6N — CID 11679989

IUPAC1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c1-12(2)5(10,11)3(6)4(7,8)9/h3H,1-2H3
InChIKeyDLDBAVFXKUQZOE-UHFFFAOYSA-N
MW195.11 g/mol
LogP2.04
Rot. Bonds2

About 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine

1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine (PubChem CID 11679989) has the molecular formula C5H7F6N and a molecular weight of 195.11 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine
PubChem CID11679989
Molecular FormulaC5H7F6N
Molecular Weight195.11 g/mol
Exact Mass195.05
IUPAC Name1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c1-12(2)5(10,11)3(6)4(7,8)9/h3H,1-2H3
InChIKeyDLDBAVFXKUQZOE-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 52.04
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 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine (CID 11679989) is 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine is CN(C)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine?
The InChIKey is DLDBAVFXKUQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6N/c1-12(2)5(10,11)3(6)4(7,8)9/h3H,1-2H3.
What are the key properties of 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine?
1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine has a molecular weight of 195.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 11679989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).