N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H11Cl2F3N2 — CID 106993674

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1ccc(Cl)nc1Cl)C1CC1
InChIInChI=1S/C11H11Cl2F3N2/c12-9-4-1-7(10(13)17-9)5-18(8-2-3-8)6-11(14,15)16/h1,4,8H,2-3,5-6H2
InChIKeyCSYPNIVUKOMCOM-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 106993674) has the molecular formula C11H11Cl2F3N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID106993674
Molecular FormulaC11H11Cl2F3N2
Molecular Weight299.12 g/mol
Exact Mass298.03
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1ccc(Cl)nc1Cl)C1CC1
InChIInChI=1S/C11H11Cl2F3N2/c12-9-4-1-7(10(13)17-9)5-18(8-2-3-8)6-11(14,15)16/h1,4,8H,2-3,5-6H2
InChIKeyCSYPNIVUKOMCOM-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 102669858
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117129
N-[(4-chloro-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79255714
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666899
5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62890967
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 54984139
3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63640935
N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
CID 106993654
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]pyrazin-2-amine
CID 103055789
2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
CID 105351807
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556124

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 106993674) is N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1ccc(Cl)nc1Cl)C1CC1.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is CSYPNIVUKOMCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2/c12-9-4-1-7(10(13)17-9)5-18(8-2-3-8)6-11(14,15)16/h1,4,8H,2-3,5-6H2.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 299.12 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 106993674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).