(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C15H20F4N2O4 — CID 171557989

IUPAC(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1(C)OC2CCOC(CN)C2O1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H3F4NO/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-8H,3-5,10H2,1-2H3;1-3H
InChIKeyMMHGBWMRLMORDT-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.62
Rot. Bonds2

About (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171557989) has the molecular formula C15H20F4N2O4 and a molecular weight of 368.33 g/mol. Its IUPAC name is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID171557989
Molecular FormulaC15H20F4N2O4
Molecular Weight368.33 g/mol
Exact Mass368.14
IUPAC Name(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1(C)OC2CCOC(CN)C2O1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H3F4NO/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-8H,3-5,10H2,1-2H3;1-3H
InChIKeyMMHGBWMRLMORDT-UHFFFAOYSA-N
XLogP2.62
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethynyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171556975
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methoxy thiohypoiodite;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171556990
benzene;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite;2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 171557145
tert-butyl acetate;3-butyl-1-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-propylazetidine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557165
(3aS,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbonitrile
CID 171557252
(3aS,7S,7aR)-2,2,5-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 171557664
[(3aS,4R,7S,7aR)-7-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
CID 171557780
2-(Aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558141
2-[[(3aS,4R,6R,7S,7aR)-2,2,4,6-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyridine
CID 171558384
2-[[(4R,7S,7aR)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyridine
CID 171558455
[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
CID 171558493
[(4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine
CID 171558521

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171557989) is (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1(C)OC2CCOC(CN)C2O1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is MMHGBWMRLMORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C6H3F4NO/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-8H,3-5,10H2,1-2H3;1-3H.
What are the key properties of (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 368.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171557989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).