N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 113260108

IUPACN-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H22F3NO/c1-9(10-6-7-18-8-10)17-12-5-3-2-4-11(12)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQJPOPIFBHGREKX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113260108) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113260108
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H22F3NO/c1-9(10-6-7-18-8-10)17-12-5-3-2-4-11(12)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQJPOPIFBHGREKX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147621
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 115714382
2-imidazol-1-yl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
CID 113483391
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508980

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 113260108) is N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCCC1C(F)(F)F)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QJPOPIFBHGREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(10-6-7-18-8-10)17-12-5-3-2-4-11(12)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113260108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).