N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine

C14H10F5NO — CID 115564773

IUPACN-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1c(F)c(F)c(-c2ccc(CNC3CC3)o2)c(F)c1F
InChIInChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)8-4-3-7(21-8)5-20-6-1-2-6/h3-4,6,20H,1-2,5H2
InChIKeyCLCNWKRRNIGMLV-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.89
Rot. Bonds4

About N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 115564773) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID115564773
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC NameN-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1c(F)c(F)c(-c2ccc(CNC3CC3)o2)c(F)c1F
InChIInChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)8-4-3-7(21-8)5-20-6-1-2-6/h3-4,6,20H,1-2,5H2
InChIKeyCLCNWKRRNIGMLV-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106889049
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
CID 106886992

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 115564773) is N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine is Fc1c(F)c(F)c(-c2ccc(CNC3CC3)o2)c(F)c1F.
What is the InChIKey of N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is CLCNWKRRNIGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)8-4-3-7(21-8)5-20-6-1-2-6/h3-4,6,20H,1-2,5H2.
What are the key properties of N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 303.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115564773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).