N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H16F3NO — CID 63001241

IUPACN-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccoc2)C1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h4-5,8,10-11,16H,1-3,6-7H2
InChIKeyLTMNDXZFUXRGHT-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.49
Rot. Bonds3

About N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63001241) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63001241
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2ccoc2)C1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h4-5,8,10-11,16H,1-3,6-7H2
InChIKeyLTMNDXZFUXRGHT-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 63001241) is N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2ccoc2)C1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LTMNDXZFUXRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)10-2-1-3-11(6-10)16-7-9-4-5-17-8-9/h4-5,8,10-11,16H,1-3,6-7H2.
What are the key properties of N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63001241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).