2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine

C10H21F2N3 — CID 63344073

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-10(2,8-13)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeySBYHKNGCUYOAIQ-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.61
Rot. Bonds4

About 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 63344073) has the molecular formula C10H21F2N3 and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID63344073
Molecular FormulaC10H21F2N3
Molecular Weight221.29 g/mol
Exact Mass221.17
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-10(2,8-13)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeySBYHKNGCUYOAIQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 63344073) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is SBYHKNGCUYOAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3/c1-10(2,8-13)15-5-3-14(4-6-15)7-9(11)12/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 63344073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).