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

C16H13F4N — CID 62964766

IUPACN-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2ccc(F)c(F)c2F)ccc1CNC1CC1
InChIInChI=1S/C16H13F4N/c17-13-6-5-12(15(19)16(13)20)9-1-2-10(14(18)7-9)8-21-11-3-4-11/h1-2,5-7,11,21H,3-4,8H2
InChIKeyGMIBICCJRPFZHX-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.16
Rot. Bonds4

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

N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 62964766) has the molecular formula C16H13F4N and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID62964766
Molecular FormulaC16H13F4N
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC NameN-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2ccc(F)c(F)c2F)ccc1CNC1CC1
InChIInChI=1S/C16H13F4N/c17-13-6-5-12(15(19)16(13)20)9-1-2-10(14(18)7-9)8-21-11-3-4-11/h1-2,5-7,11,21H,3-4,8H2
InChIKeyGMIBICCJRPFZHX-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine (CID 62964766) is N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine is Fc1cc(-c2ccc(F)c(F)c2F)ccc1CNC1CC1.
What is the InChIKey of N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is GMIBICCJRPFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N/c17-13-6-5-12(15(19)16(13)20)9-1-2-10(14(18)7-9)8-21-11-3-4-11/h1-2,5-7,11,21H,3-4,8H2.
What are the key properties of N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 295.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2,3,4-trifluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).