2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine

C5H11F3N2 — CID 122240021

IUPAC2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)CC(F)F
InChIInChI=1S/C5H11F3N2/c6-4(7)1-5(8,2-9)3-10/h4H,1-3,9-10H2
InChIKeyVEFAPGZLRGMFLD-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.27
Rot. Bonds4

About 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine

2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine (PubChem CID 122240021) has the molecular formula C5H11F3N2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine
PubChem CID122240021
Molecular FormulaC5H11F3N2
Molecular Weight156.15 g/mol
Exact Mass156.09
IUPAC Name2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)CC(F)F
InChIInChI=1S/C5H11F3N2/c6-4(7)1-5(8,2-9)3-10/h4H,1-3,9-10H2
InChIKeyVEFAPGZLRGMFLD-UHFFFAOYSA-N
XLogP0.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine?
The IUPAC name of 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine (CID 122240021) is 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine is NCC(F)(CN)CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine?
The InChIKey is VEFAPGZLRGMFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2/c6-4(7)1-5(8,2-9)3-10/h4H,1-3,9-10H2.
What are the key properties of 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine?
2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine has a molecular weight of 156.15 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 122240021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).