N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C12H19BrF3N — CID 65002752

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1(CBr)CCCC1)C1CC1
InChIInChI=1S/C12H19BrF3N/c13-7-11(5-1-2-6-11)8-17(10-3-4-10)9-12(14,15)16/h10H,1-9H2
InChIKeyDNCOKQRRYNLPKN-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.97
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 65002752) has the molecular formula C12H19BrF3N and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID65002752
Molecular FormulaC12H19BrF3N
Molecular Weight314.19 g/mol
Exact Mass313.07
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1(CBr)CCCC1)C1CC1
InChIInChI=1S/C12H19BrF3N/c13-7-11(5-1-2-6-11)8-17(10-3-4-10)9-12(14,15)16/h10H,1-9H2
InChIKeyDNCOKQRRYNLPKN-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 65002752) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CC1(CBr)CCCC1)C1CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is DNCOKQRRYNLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrF3N/c13-7-11(5-1-2-6-11)8-17(10-3-4-10)9-12(14,15)16/h10H,1-9H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 314.19 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 65002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).