ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid

C10H12FNO3 — CID 67280741

IUPACethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid
SMILESCCN(C(=O)O)c1cccc(CO)c1F
InChIInChI=1S/C10H12FNO3/c1-2-12(10(14)15)8-5-3-4-7(6-13)9(8)11/h3-5,13H,2,6H2,1H3,(H,14,15)
InChIKeyMHWRJEILLDQQCK-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.82
Rot. Bonds3

About ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid

ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid (PubChem CID 67280741) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid
PubChem CID67280741
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid
SMILESCCN(C(=O)O)c1cccc(CO)c1F
InChIInChI=1S/C10H12FNO3/c1-2-12(10(14)15)8-5-3-4-7(6-13)9(8)11/h3-5,13H,2,6H2,1H3,(H,14,15)
InChIKeyMHWRJEILLDQQCK-UHFFFAOYSA-N
XLogP1.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid?
The IUPAC name of ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid (CID 67280741) is ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid.
What is the SMILES notation for ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid?
The canonical SMILES for ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid is CCN(C(=O)O)c1cccc(CO)c1F.
What is the InChIKey of ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid?
The InChIKey is MHWRJEILLDQQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-12(10(14)15)8-5-3-4-7(6-13)9(8)11/h3-5,13H,2,6H2,1H3,(H,14,15).
What are the key properties of ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid?
ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid has a molecular weight of 213.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-fluoro-3-(hydroxymethyl)phenyl]carbamic acid is sourced from PubChem (CID 67280741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).