2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine

C7H17FN2 — CID 80698745

IUPAC2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCF)C(C)(C)CN
InChIInChI=1S/C7H17FN2/c1-7(2,6-9)10(3)5-4-8/h4-6,9H2,1-3H3
InChIKeyXJIBMONAEKKBLV-UHFFFAOYSA-N
MW148.22 g/mol
LogP0.62
Rot. Bonds4

About 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 80698745) has the molecular formula C7H17FN2 and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID80698745
Molecular FormulaC7H17FN2
Molecular Weight148.22 g/mol
Exact Mass148.14
IUPAC Name2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCF)C(C)(C)CN
InChIInChI=1S/C7H17FN2/c1-7(2,6-9)10(3)5-4-8/h4-6,9H2,1-3H3
InChIKeyXJIBMONAEKKBLV-UHFFFAOYSA-N
XLogP0.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine (CID 80698745) is 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine is CN(CCF)C(C)(C)CN.
What is the InChIKey of 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is XJIBMONAEKKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2/c1-7(2,6-9)10(3)5-4-8/h4-6,9H2,1-3H3.
What are the key properties of 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 148.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoroethyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 80698745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).