(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine

C7H17FN2 — CID 164861996

IUPAC(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine
SMILESC[C@H](CN(C)C)CN(C)F
InChIInChI=1S/C7H17FN2/c1-7(5-9(2)3)6-10(4)8/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySPKFTUVIGXVKLA-SSDOTTSWSA-N
MW148.22 g/mol
LogP1.00
Rot. Bonds4

About (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine

(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine (PubChem CID 164861996) has the molecular formula C7H17FN2 and a molecular weight of 148.22 g/mol. Its IUPAC name is (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound Name(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine
PubChem CID164861996
Molecular FormulaC7H17FN2
Molecular Weight148.22 g/mol
Exact Mass148.14
IUPAC Name(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine
SMILESC[C@H](CN(C)C)CN(C)F
InChIInChI=1S/C7H17FN2/c1-7(5-9(2)3)6-10(4)8/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySPKFTUVIGXVKLA-SSDOTTSWSA-N
XLogP1.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine?
The IUPAC name of (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine (CID 164861996) is (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine?
The canonical SMILES for (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine is C[C@H](CN(C)C)CN(C)F.
What is the InChIKey of (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine?
The InChIKey is SPKFTUVIGXVKLA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17FN2/c1-7(5-9(2)3)6-10(4)8/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine?
(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine has a molecular weight of 148.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 164861996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).