N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine

C10H10F3N — CID 63969871

IUPACN-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)c(F)c1F
InChIInChI=1S/C10H10F3N/c11-8-4-1-6(9(12)10(8)13)5-14-7-2-3-7/h1,4,7,14H,2-3,5H2
InChIKeyVIXBWKOLEOMNCF-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.36
Rot. Bonds3

About N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine

N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine (PubChem CID 63969871) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
PubChem CID63969871
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)c(F)c1F
InChIInChI=1S/C10H10F3N/c11-8-4-1-6(9(12)10(8)13)5-14-7-2-3-7/h1,4,7,14H,2-3,5H2
InChIKeyVIXBWKOLEOMNCF-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 62964766
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137
N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine
CID 141109695
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine (CID 63969871) is N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine is Fc1ccc(CNC2CC2)c(F)c1F.
What is the InChIKey of N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine?
The InChIKey is VIXBWKOLEOMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-8-4-1-6(9(12)10(8)13)5-14-7-2-3-7/h1,4,7,14H,2-3,5H2.
What are the key properties of N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine?
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine has a molecular weight of 201.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63969871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).