N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

C12H13FN2O — CID 65378964

IUPACN-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccoc1
InChIInChI=1S/C12H13FN2O/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2
InChIKeyLUPWJWNYTOVTNG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.53
Rot. Bonds4

About N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 65378964) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID65378964
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccoc1
InChIInChI=1S/C12H13FN2O/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2
InChIKeyLUPWJWNYTOVTNG-UHFFFAOYSA-N
XLogP2.53
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (CID 65378964) is N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is NCC(Nc1ccc(F)cc1)c1ccoc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is LUPWJWNYTOVTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-1-3-11(4-2-10)15-12(7-14)9-5-6-16-8-9/h1-6,8,12,15H,7,14H2.
What are the key properties of N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 220.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 65378964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).