1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

C9H20F2N2O — CID 106145248

IUPAC1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)C(F)F
InChIInChI=1S/C9H20F2N2O/c1-7(8(10)11)12-5-9(2,14)6-13(3)4/h7-8,12,14H,5-6H2,1-4H3
InChIKeySCLQNQWFBABPNC-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.54
Rot. Bonds6

About 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106145248) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106145248
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)C(F)F
InChIInChI=1S/C9H20F2N2O/c1-7(8(10)11)12-5-9(2,14)6-13(3)4/h7-8,12,14H,5-6H2,1-4H3
InChIKeySCLQNQWFBABPNC-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106145248) is 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is CC(NCC(C)(O)CN(C)C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is SCLQNQWFBABPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-7(8(10)11)12-5-9(2,14)6-13(3)4/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106145248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).