N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C12H20F3NO — CID 43730738

IUPACN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCOC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2
InChIKeyXLMWNLDTXPOHSB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.73
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730738) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730738
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCOC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2
InChIKeyXLMWNLDTXPOHSB-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 43730738) is N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XLMWNLDTXPOHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).