2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine

C12H20F3NO — CID 113289556

IUPAC2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
SMILESCC1OCCC1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-8-11(5-6-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyPSKBYYJDEMCVIL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine

2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine (PubChem CID 113289556) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
PubChem CID113289556
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
SMILESCC1OCCC1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-8-11(5-6-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyPSKBYYJDEMCVIL-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine (CID 113289556) is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine is CC1OCCC1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The InChIKey is PSKBYYJDEMCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8-11(5-6-17-8)16-10-4-2-3-9(7-10)12(13,14)15/h8-11,16H,2-7H2,1H3.
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine has a molecular weight of 251.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 113289556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).