oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine

C13H22F3NO — CID 105147261

IUPACoxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCOCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(17)9-4-6-18-7-5-9/h9-12H,1-8,17H2
InChIKeyOSSUHTFITFDRGI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.11
Rot. Bonds2

About oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine

oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105147261) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Nameoxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105147261
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Nameoxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCOCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(17)9-4-6-18-7-5-9/h9-12H,1-8,17H2
InChIKeyOSSUHTFITFDRGI-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105187570
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine
CID 105315599

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105147261) is oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine is NC(C1CCOCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is OSSUHTFITFDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(17)9-4-6-18-7-5-9/h9-12H,1-8,17H2.
What are the key properties of oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105147261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).