[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine

C14H12F3NO — CID 107879019

IUPAC[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H12F3NO/c15-11-5-4-9(6-10(11)7-18)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2
InChIKeyAVBKYKXRWMETMF-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.14
Rot. Bonds4

About [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine

[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107879019) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107879019
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H12F3NO/c15-11-5-4-9(6-10(11)7-18)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2
InChIKeyAVBKYKXRWMETMF-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
2-bromo-5-[(2,3-difluorophenoxy)methyl]aniline
CID 115557545
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]boronic acid
CID 63036438
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine (CID 107879019) is [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine is NCc1cc(COc2cccc(F)c2F)ccc1F.
What is the InChIKey of [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is AVBKYKXRWMETMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-11-5-4-9(6-10(11)7-18)8-19-13-3-1-2-12(16)14(13)17/h1-6H,7-8,18H2.
What are the key properties of [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107879019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).