1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3NO — CID 102653661

IUPAC1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h3,9-10,12,17H,2,4-8H2,1H3
InChIKeyBNRIYIWLGQPIEM-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 102653661) 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-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID102653661
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h3,9-10,12,17H,2,4-8H2,1H3
InChIKeyBNRIYIWLGQPIEM-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 102653661) is 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is BNRIYIWLGQPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h3,9-10,12,17H,2,4-8H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(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-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102653661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).