(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine

C7H16F2N2 — CID 86775689

IUPAC(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCN(CC(F)F)[C@@H](C)CN
InChIInChI=1S/C7H16F2N2/c1-3-11(5-7(8)9)6(2)4-10/h6-7H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeyGQYQDDQXOWLOOF-LURJTMIESA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds5

About (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine

(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine (PubChem CID 86775689) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
PubChem CID86775689
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC Name(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCN(CC(F)F)[C@@H](C)CN
InChIInChI=1S/C7H16F2N2/c1-3-11(5-7(8)9)6(2)4-10/h6-7H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeyGQYQDDQXOWLOOF-LURJTMIESA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine (CID 86775689) is (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine is CCN(CC(F)F)[C@@H](C)CN.
What is the InChIKey of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine?
The InChIKey is GQYQDDQXOWLOOF-LURJTMIESA-N. The full InChI is InChI=1S/C7H16F2N2/c1-3-11(5-7(8)9)6(2)4-10/h6-7H,3-5,10H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine?
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 86775689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).