2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C13H18F3NO — CID 105177753

IUPAC2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1ccoc1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-3-1-2-10(7-11)12(17)6-9-4-5-18-8-9/h4-5,8,10-12H,1-3,6-7,17H2
InChIKeyWXEFUKMLENCGJC-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.52
Rot. Bonds3

About 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105177753) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105177753
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1ccoc1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-3-1-2-10(7-11)12(17)6-9-4-5-18-8-9/h4-5,8,10-12H,1-3,6-7,17H2
InChIKeyWXEFUKMLENCGJC-UHFFFAOYSA-N
XLogP3.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105177753) is 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is NC(Cc1ccoc1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is WXEFUKMLENCGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)11-3-1-2-10(7-11)12(17)6-9-4-5-18-8-9/h4-5,8,10-12H,1-3,6-7,17H2.
What are the key properties of 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105177753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).