methanol;molecular fluorine;1-phenylethanamine;hydrate

C9H17F2NO2 — CID 144635435

IUPACmethanol;molecular fluorine;1-phenylethanamine;hydrate
SMILESCC(N)c1ccccc1.CO.FF.O
InChIInChI=1S/C8H11N.CH4O.F2.H2O/c1-7(9)8-5-3-2-4-6-8;2*1-2;/h2-7H,9H2,1H3;2H,1H3;;1H2
InChIKeyMWXHDXNNCLOIFA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.33
Rot. Bonds1

About methanol;molecular fluorine;1-phenylethanamine;hydrate

methanol;molecular fluorine;1-phenylethanamine;hydrate (PubChem CID 144635435) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is methanol;molecular fluorine;1-phenylethanamine;hydrate.

Molecular Properties

Compound Namemethanol;molecular fluorine;1-phenylethanamine;hydrate
PubChem CID144635435
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Namemethanol;molecular fluorine;1-phenylethanamine;hydrate
SMILESCC(N)c1ccccc1.CO.FF.O
InChIInChI=1S/C8H11N.CH4O.F2.H2O/c1-7(9)8-5-3-2-4-6-8;2*1-2;/h2-7H,9H2,1H3;2H,1H3;;1H2
InChIKeyMWXHDXNNCLOIFA-UHFFFAOYSA-N
XLogP1.33
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;molecular fluorine;1-phenylethanamine;hydrate?
The IUPAC name of methanol;molecular fluorine;1-phenylethanamine;hydrate (CID 144635435) is methanol;molecular fluorine;1-phenylethanamine;hydrate.
What is the SMILES notation for methanol;molecular fluorine;1-phenylethanamine;hydrate?
The canonical SMILES for methanol;molecular fluorine;1-phenylethanamine;hydrate is CC(N)c1ccccc1.CO.FF.O.
What is the InChIKey of methanol;molecular fluorine;1-phenylethanamine;hydrate?
The InChIKey is MWXHDXNNCLOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.CH4O.F2.H2O/c1-7(9)8-5-3-2-4-6-8;2*1-2;/h2-7H,9H2,1H3;2H,1H3;;1H2.
What are the key properties of methanol;molecular fluorine;1-phenylethanamine;hydrate?
methanol;molecular fluorine;1-phenylethanamine;hydrate has a molecular weight of 209.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;molecular fluorine;1-phenylethanamine;hydrate is sourced from PubChem (CID 144635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).