N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 64759703

IUPACN-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCC1CCCO1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h10-12,17H,1-9H2
InChIKeyFKRLGOGDTWDCTJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759703) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759703
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCCC1CCCO1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h10-12,17H,1-9H2
InChIKeyFKRLGOGDTWDCTJ-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 64759703) is N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FKRLGOGDTWDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-7-10-4-3-9-18-10/h10-12,17H,1-9H2.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).