1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol

C11H21F2NO2 — CID 103930716

IUPAC1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol
SMILESCC(C)C1CC(NCC(O)C(F)F)CCO1
InChIInChI=1S/C11H21F2NO2/c1-7(2)10-5-8(3-4-16-10)14-6-9(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3
InChIKeyLLIKVTUSBGHIBF-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.41
Rot. Bonds5

About 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol

1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol (PubChem CID 103930716) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol
PubChem CID103930716
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol
SMILESCC(C)C1CC(NCC(O)C(F)F)CCO1
InChIInChI=1S/C11H21F2NO2/c1-7(2)10-5-8(3-4-16-10)14-6-9(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3
InChIKeyLLIKVTUSBGHIBF-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-Difluoro-6-propan-2-ylpiperidin-2-yl)methanol
CID 176992412
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100931
2-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101368
2-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101738
2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102730
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102914
2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106491
[2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139072
[2-Methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139281

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol (CID 103930716) is 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol is CC(C)C1CC(NCC(O)C(F)F)CCO1.
What is the InChIKey of 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol?
The InChIKey is LLIKVTUSBGHIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-7(2)10-5-8(3-4-16-10)14-6-9(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol has a molecular weight of 237.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(2-propan-2-yloxan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103930716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).