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

C16H14F3N — CID 63990447

IUPACN-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2cccc(F)c2F)ccc1CNC1CC1
InChIInChI=1S/C16H14F3N/c17-14-3-1-2-13(16(14)19)10-4-5-11(15(18)8-10)9-20-12-6-7-12/h1-5,8,12,20H,6-7,9H2
InChIKeyLDVQUAFASOTJLV-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.02
Rot. Bonds4

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

N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine (PubChem CID 63990447) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
PubChem CID63990447
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(-c2cccc(F)c2F)ccc1CNC1CC1
InChIInChI=1S/C16H14F3N/c17-14-3-1-2-13(16(14)19)10-4-5-11(15(18)8-10)9-20-12-6-7-12/h1-5,8,12,20H,6-7,9H2
InChIKeyLDVQUAFASOTJLV-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine (CID 63990447) is N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine is Fc1cc(-c2cccc(F)c2F)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is LDVQUAFASOTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-14-3-1-2-13(16(14)19)10-4-5-11(15(18)8-10)9-20-12-6-7-12/h1-5,8,12,20H,6-7,9H2.
What are the key properties of N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine?
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 277.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63990447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).