[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine

C12H11ClFNO2 — CID 116690352

IUPAC[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
SMILESNCc1coc(COc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H11ClFNO2/c13-10-2-1-3-11(12(10)14)17-7-9-4-8(5-15)6-16-9/h1-4,6H,5,7,15H2
InChIKeyOUSTUHKJKPMWFK-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.11
Rot. Bonds4

About [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine

[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine (PubChem CID 116690352) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
PubChem CID116690352
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
SMILESNCc1coc(COc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H11ClFNO2/c13-10-2-1-3-11(12(10)14)17-7-9-4-8(5-15)6-16-9/h1-4,6H,5,7,15H2
InChIKeyOUSTUHKJKPMWFK-UHFFFAOYSA-N
XLogP3.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763
[2-(3-chloro-2-fluorophenoxy)-1,3-oxazol-4-yl]methanamine
CID 116690089
3-bromo-4-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 116688671
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]boronic acid
CID 116689837
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine (CID 116690352) is [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine is NCc1coc(COc2cccc(Cl)c2F)c1.
What is the InChIKey of [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is OUSTUHKJKPMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c13-10-2-1-3-11(12(10)14)17-7-9-4-8(5-15)6-16-9/h1-4,6H,5,7,15H2.
What are the key properties of [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine?
[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 255.68 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 116690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).