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

C11H12F5NO — CID 55171742

IUPAC[5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F5NO/c12-9-2-1-7(8(3-9)4-17)5-18-6-11(15,16)10(13)14/h1-3,10H,4-6,17H2
InChIKeyULGPZCMCEASFJU-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.70
Rot. Bonds6

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

[5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine (PubChem CID 55171742) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
PubChem CID55171742
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name[5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F5NO/c12-9-2-1-7(8(3-9)4-17)5-18-6-11(15,16)10(13)14/h1-3,10H,4-6,17H2
InChIKeyULGPZCMCEASFJU-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine (CID 55171742) is [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine is NCc1cc(F)ccc1COCC(F)(F)C(F)F.
What is the InChIKey of [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
The InChIKey is ULGPZCMCEASFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-9-2-1-7(8(3-9)4-17)5-18-6-11(15,16)10(13)14/h1-3,10H,4-6,17H2.
What are the key properties of [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine?
[5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine has a molecular weight of 269.21 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 55171742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).