1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol

C12H25F3N2O — CID 104925215

IUPAC1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
SMILESCC(CCCC(F)(F)F)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H25F3N2O/c1-10(6-5-7-12(13,14)15)16-8-11(2,18)9-17(3)4/h10,16,18H,5-9H2,1-4H3
InChIKeyZZPFJLINDNIGNM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds8

About 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol (PubChem CID 104925215) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
PubChem CID104925215
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
SMILESCC(CCCC(F)(F)F)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H25F3N2O/c1-10(6-5-7-12(13,14)15)16-8-11(2,18)9-17(3)4/h10,16,18H,5-9H2,1-4H3
InChIKeyZZPFJLINDNIGNM-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol (CID 104925215) is 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol is CC(CCCC(F)(F)F)NCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
The InChIKey is ZZPFJLINDNIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(6-5-7-12(13,14)15)16-8-11(2,18)9-17(3)4/h10,16,18H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol has a molecular weight of 270.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 104925215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).