[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine

C9H9F4NO — CID 18407225

IUPAC[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
SMILESNCc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H9F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2
InChIKeyMKYOWLFGMSLZHI-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.38
Rot. Bonds4

About [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine

[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine (PubChem CID 18407225) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
PubChem CID18407225
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
SMILESNCc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H9F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2
InChIKeyMKYOWLFGMSLZHI-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 29004952
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 129160857
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine (CID 18407225) is [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The canonical SMILES for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine is NCc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
The InChIKey is MKYOWLFGMSLZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2.
What are the key properties of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine?
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine has a molecular weight of 223.17 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 18407225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).