3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3NO — CID 102649495

IUPAC3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-18-11/h7,9-10,12H,1-6,8,17H2
InChIKeyOIAGWDJLOMAMTA-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.38
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine

3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 102649495) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID102649495
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-18-11/h7,9-10,12H,1-6,8,17H2
InChIKeyOIAGWDJLOMAMTA-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650320
[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650321
[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650340
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 102649495) is 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine is NC(C1=CCCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is OIAGWDJLOMAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-18-11/h7,9-10,12H,1-6,8,17H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine?
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102649495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).