N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H24F3NO2 — CID 82835949

IUPACN-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(CNC2CCCC(OCC(F)(F)F)C2)O1
InChIInChI=1S/C14H24F3NO2/c1-10-5-6-13(20-10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyVEQQNBHHCBWECA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82835949) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82835949
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(CNC2CCCC(OCC(F)(F)F)C2)O1
InChIInChI=1S/C14H24F3NO2/c1-10-5-6-13(20-10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyVEQQNBHHCBWECA-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82835949) is N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CCC(CNC2CCCC(OCC(F)(F)F)C2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VEQQNBHHCBWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-10-5-6-13(20-10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82835949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).