[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine

C10H11F4NO2 — CID 106704805

IUPAC[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(OCOCC(F)(F)F)c1
InChIInChI=1S/C10H11F4NO2/c11-8-1-7(4-15)2-9(3-8)17-6-16-5-10(12,13)14/h1-3H,4-6,15H2
InChIKeyKYZDRKCYUAJZQI-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.20
Rot. Bonds5

About [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine

[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine (PubChem CID 106704805) has the molecular formula C10H11F4NO2 and a molecular weight of 253.19 g/mol. Its IUPAC name is [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
PubChem CID106704805
Molecular FormulaC10H11F4NO2
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Name[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(OCOCC(F)(F)F)c1
InChIInChI=1S/C10H11F4NO2/c11-8-1-7(4-15)2-9(3-8)17-6-16-5-10(12,13)14/h1-3H,4-6,15H2
InChIKeyKYZDRKCYUAJZQI-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
1-(3-chloroprop-1-ynyl)-3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705573
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
3-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-yn-1-amine
CID 81325837
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442
2-chloro-4-(2,2,2-trifluoroethoxymethoxy)aniline
CID 106704391
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine (CID 106704805) is [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine is NCc1cc(F)cc(OCOCC(F)(F)F)c1.
What is the InChIKey of [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine?
The InChIKey is KYZDRKCYUAJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2/c11-8-1-7(4-15)2-9(3-8)17-6-16-5-10(12,13)14/h1-3H,4-6,15H2.
What are the key properties of [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine?
[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine has a molecular weight of 253.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine is sourced from PubChem (CID 106704805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).