N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine

C12H22F3NO — CID 66276847

IUPACN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(17-10(2)12(13,14)15)8-16-11-6-4-3-5-7-11/h9-11,16H,3-8H2,1-2H3
InChIKeyXWJLCWWWCQRALK-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine

N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine (PubChem CID 66276847) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
PubChem CID66276847
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(17-10(2)12(13,14)15)8-16-11-6-4-3-5-7-11/h9-11,16H,3-8H2,1-2H3
InChIKeyXWJLCWWWCQRALK-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine (CID 66276847) is N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine is CC(CNC1CCCCC1)OC(C)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
The InChIKey is XWJLCWWWCQRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(17-10(2)12(13,14)15)8-16-11-6-4-3-5-7-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine?
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine is sourced from PubChem (CID 66276847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).