N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine

C10H13F3N2 — CID 118889333

IUPACN-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CC(CNC2CC2)NC=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-3-4-14-9(5-7)6-15-8-1-2-8/h3-5,8-9,14-15H,1-2,6H2
InChIKeyQZROXXRIJXNQND-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.71
Rot. Bonds3

About N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine

N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine (PubChem CID 118889333) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
PubChem CID118889333
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CC(CNC2CC2)NC=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-3-4-14-9(5-7)6-15-8-1-2-8/h3-5,8-9,14-15H,1-2,6H2
InChIKeyQZROXXRIJXNQND-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88998201
CID 88998201
CID 118889319
CID 118889319
CID 118889339
CID 118889339
CID 118889345
CID 118889345
CID 118889348
CID 118889348
CID 129164640
CID 129164640
CID 134189210
CID 134189210
CID 141795069
CID 141795069
CID 144724033
CID 144724033
CID 166976401
CID 166976401
CID 170272006
CID 170272006
CID 144442043
CID 144442043

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine (CID 118889333) is N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine is FC(F)(F)C1=CC(CNC2CC2)NC=C1.
What is the InChIKey of N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The InChIKey is QZROXXRIJXNQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)7-3-4-14-9(5-7)6-15-8-1-2-8/h3-5,8-9,14-15H,1-2,6H2.
What are the key properties of N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine has a molecular weight of 218.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118889333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).