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

C12H20F3NO — CID 64757254

IUPACN-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCCO1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h9-11,16H,1-8H2
InChIKeyHNUYFDLAOGTSPS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds3

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

N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757254) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757254
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCCO1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h9-11,16H,1-8H2
InChIKeyHNUYFDLAOGTSPS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 64757254) is N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HNUYFDLAOGTSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h9-11,16H,1-8H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).