fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine

C16H20FNO3 — CID 173397063

IUPACfluorobenzene;2-hydroxyacetic acid;1-phenylethanamine
SMILESCC(N)c1ccccc1.Fc1ccccc1.O=C(O)CO
InChIInChI=1S/C8H11N.C6H5F.C2H4O3/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h2-7H,9H2,1H3;1-5H;3H,1H2,(H,4,5)
InChIKeyUAUKYHUFBOICKV-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.60
Rot. Bonds2

About fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine

fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine (PubChem CID 173397063) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine.

Molecular Properties

Compound Namefluorobenzene;2-hydroxyacetic acid;1-phenylethanamine
PubChem CID173397063
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namefluorobenzene;2-hydroxyacetic acid;1-phenylethanamine
SMILESCC(N)c1ccccc1.Fc1ccccc1.O=C(O)CO
InChIInChI=1S/C8H11N.C6H5F.C2H4O3/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h2-7H,9H2,1H3;1-5H;3H,1H2,(H,4,5)
InChIKeyUAUKYHUFBOICKV-UHFFFAOYSA-N
XLogP2.60
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-phenylethanamine;propan-2-one
CID 54416751
methanol;molecular fluorine;1-phenylethanamine;hydrate
CID 144635435
2-isocyanoacetic acid;1-phenylethanamine
CID 88788030
ethane;(1R)-1-phenylethanamine
CID 142977390
3-isocyanopropanoic acid;1-phenylethanamine
CID 88788134
benzene-1,2-diol;1-phenylethanamine
CID 174442381
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
ethane;formamide;1-phenylethanamine
CID 154651145
(1R)-1-phenylethanamine;2-(2,3,4-trifluoroanilino)propanoic acid
CID 161490780
1-phenylethanamine;toluene
CID 143029898
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
CID 68539443
CID 68539443

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine?
The IUPAC name of fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine (CID 173397063) is fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine.
What is the SMILES notation for fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine?
The canonical SMILES for fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine is CC(N)c1ccccc1.Fc1ccccc1.O=C(O)CO.
What is the InChIKey of fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine?
The InChIKey is UAUKYHUFBOICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H5F.C2H4O3/c1-7(9)8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h2-7H,9H2,1H3;1-5H;3H,1H2,(H,4,5).
What are the key properties of fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine?
fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine has a molecular weight of 293.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;2-hydroxyacetic acid;1-phenylethanamine is sourced from PubChem (CID 173397063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).