2-N'-(2,2-difluoroethyl)propane-2,2-diamine

C5H12F2N2 — CID 91153476

IUPAC2-N'-(2,2-difluoroethyl)propane-2,2-diamine
SMILESCC(C)(N)NCC(F)F
InChIInChI=1S/C5H12F2N2/c1-5(2,8)9-3-4(6)7/h4,9H,3,8H2,1-2H3
InChIKeyRLWBBSJMCIRTCB-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.54
Rot. Bonds3

About 2-N'-(2,2-difluoroethyl)propane-2,2-diamine

2-N'-(2,2-difluoroethyl)propane-2,2-diamine (PubChem CID 91153476) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-N'-(2,2-difluoroethyl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N'-(2,2-difluoroethyl)propane-2,2-diamine
PubChem CID91153476
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC Name2-N'-(2,2-difluoroethyl)propane-2,2-diamine
SMILESCC(C)(N)NCC(F)F
InChIInChI=1S/C5H12F2N2/c1-5(2,8)9-3-4(6)7/h4,9H,3,8H2,1-2H3
InChIKeyRLWBBSJMCIRTCB-UHFFFAOYSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-(2,2-difluoroethyl)propane-2,2-diamine?
The IUPAC name of 2-N'-(2,2-difluoroethyl)propane-2,2-diamine (CID 91153476) is 2-N'-(2,2-difluoroethyl)propane-2,2-diamine.
What is the SMILES notation for 2-N'-(2,2-difluoroethyl)propane-2,2-diamine?
The canonical SMILES for 2-N'-(2,2-difluoroethyl)propane-2,2-diamine is CC(C)(N)NCC(F)F.
What is the InChIKey of 2-N'-(2,2-difluoroethyl)propane-2,2-diamine?
The InChIKey is RLWBBSJMCIRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2/c1-5(2,8)9-3-4(6)7/h4,9H,3,8H2,1-2H3.
What are the key properties of 2-N'-(2,2-difluoroethyl)propane-2,2-diamine?
2-N'-(2,2-difluoroethyl)propane-2,2-diamine has a molecular weight of 138.16 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(2,2-difluoroethyl)propane-2,2-diamine is sourced from PubChem (CID 91153476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).