N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

C13H22F3NO — CID 66274864

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-10(13(14,15)16)18-12(7-3-2-4-8-12)9-17-11-5-6-11/h10-11,17H,2-9H2,1H3
InChIKeySDSZUAAGEGOJSI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 66274864) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID66274864
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-10(13(14,15)16)18-12(7-3-2-4-8-12)9-17-11-5-6-11/h10-11,17H,2-9H2,1H3
InChIKeySDSZUAAGEGOJSI-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (CID 66274864) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is CC(OC1(CNC2CC2)CCCCC1)C(F)(F)F.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is SDSZUAAGEGOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(13(14,15)16)18-12(7-3-2-4-8-12)9-17-11-5-6-11/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 66274864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).