N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine

C13H20F3N — CID 64757640

IUPACN-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCCC2(C1)CC2CNC1CC1
InChIInChI=1S/C13H20F3N/c14-13(15,16)9-2-1-5-12(6-9)7-10(12)8-17-11-3-4-11/h9-11,17H,1-8H2
InChIKeyQODXYEMEDXGFTO-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.50
Rot. Bonds3

About N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine

N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine (PubChem CID 64757640) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine
PubChem CID64757640
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1CCCC2(C1)CC2CNC1CC1
InChIInChI=1S/C13H20F3N/c14-13(15,16)9-2-1-5-12(6-9)7-10(12)8-17-11-3-4-11/h9-11,17H,1-8H2
InChIKeyQODXYEMEDXGFTO-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine (CID 64757640) is N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine is FC(F)(F)C1CCCC2(C1)CC2CNC1CC1.
What is the InChIKey of N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The InChIKey is QODXYEMEDXGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c14-13(15,16)9-2-1-5-12(6-9)7-10(12)8-17-11-3-4-11/h9-11,17H,1-8H2.
What are the key properties of N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine?
N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine has a molecular weight of 247.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64757640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).