1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3NO — CID 102653549

IUPAC1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO/c1-17-12(11-6-3-7-18-11)9-4-2-5-10(8-9)13(14,15)16/h6,9-10,12,17H,2-5,7-8H2,1H3
InChIKeyQUMVQOQWTHAOCW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 102653549) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID102653549
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO/c1-17-12(11-6-3-7-18-11)9-4-2-5-10(8-9)13(14,15)16/h6,9-10,12,17H,2-5,7-8H2,1H3
InChIKeyQUMVQOQWTHAOCW-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
CID 91097016
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-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
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-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 102653549) is 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCO1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QUMVQOQWTHAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-17-12(11-6-3-7-18-11)9-4-2-5-10(8-9)13(14,15)16/h6,9-10,12,17H,2-5,7-8H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102653549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).