N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

C12H12ClFN2O — CID 107527871

IUPACN-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccoc1
InChIInChI=1S/C12H12ClFN2O/c13-10-2-1-9(14)5-11(10)16-12(6-15)8-3-4-17-7-8/h1-5,7,12,16H,6,15H2
InChIKeyYRPBGRYBWVBPNR-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.18
Rot. Bonds4

About N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 107527871) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID107527871
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC NameN-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccoc1
InChIInChI=1S/C12H12ClFN2O/c13-10-2-1-9(14)5-11(10)16-12(6-15)8-3-4-17-7-8/h1-5,7,12,16H,6,15H2
InChIKeyYRPBGRYBWVBPNR-UHFFFAOYSA-N
XLogP3.18
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 65378964
N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 107527972
1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527797
1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527882
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
2-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethanol
CID 102617275
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
CID 116783701
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (CID 107527871) is N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is NCC(Nc1cc(F)ccc1Cl)c1ccoc1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is YRPBGRYBWVBPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-10-2-1-9(14)5-11(10)16-12(6-15)8-3-4-17-7-8/h1-5,7,12,16H,6,15H2.
What are the key properties of N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 254.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107527871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).