N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C16H26F3NO — CID 62723362

IUPACN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C16H26F3NO/c17-16(18,19)11-21-7-1-6-15(10-20-14-4-5-14)9-12-2-3-13(15)8-12/h12-14,20H,1-11H2
InChIKeyUQNAVRPDHGQQPM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.90
Rot. Bonds8

About N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 62723362) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID62723362
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C16H26F3NO/c17-16(18,19)11-21-7-1-6-15(10-20-14-4-5-14)9-12-2-3-13(15)8-12/h12-14,20H,1-11H2
InChIKeyUQNAVRPDHGQQPM-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 62723362) is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is FC(F)(F)COCCCC1(CNC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is UQNAVRPDHGQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c17-16(18,19)11-21-7-1-6-15(10-20-14-4-5-14)9-12-2-3-13(15)8-12/h12-14,20H,1-11H2.
What are the key properties of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 305.38 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 62723362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).