[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine

C14H10F5NO — CID 103289061

IUPAC[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C14H10F5NO/c15-9-2-1-7(5-20)3-8(9)6-21-14-12(18)10(16)4-11(17)13(14)19/h1-4H,5-6,20H2
InChIKeyVURNUODZUQEMDC-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.42
Rot. Bonds4

About [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine

[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine (PubChem CID 103289061) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
PubChem CID103289061
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C14H10F5NO/c15-9-2-1-7(5-20)3-8(9)6-21-14-12(18)10(16)4-11(17)13(14)19/h1-4H,5-6,20H2
InChIKeyVURNUODZUQEMDC-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine (CID 103289061) is [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine is NCc1ccc(F)c(COc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is VURNUODZUQEMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-9-2-1-7(5-20)3-8(9)6-21-14-12(18)10(16)4-11(17)13(14)19/h1-4H,5-6,20H2.
What are the key properties of [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine?
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 303.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 103289061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).