2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine

C9H20F2N2 — CID 115406450

IUPAC2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(CN)NCC(F)F
InChIInChI=1S/C9H20F2N2/c1-9(2,3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3
InChIKeyIVXKGDLFKUMMSO-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.60
Rot. Bonds5

About 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine

2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine (PubChem CID 115406450) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine
PubChem CID115406450
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC Name2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(CN)NCC(F)F
InChIInChI=1S/C9H20F2N2/c1-9(2,3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3
InChIKeyIVXKGDLFKUMMSO-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine (CID 115406450) is 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine is CC(C)(C)CC(CN)NCC(F)F.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine?
The InChIKey is IVXKGDLFKUMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2/c1-9(2,3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3.
What are the key properties of 2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine?
2-N-(2,2-difluoroethyl)-4,4-dimethylpentane-1,2-diamine has a molecular weight of 194.27 g/mol, XLogP of 1.60, 5 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)-4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 115406450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).