[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid

C10H12FNO3 — CID 67479420

IUPAC[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
SMILESCN(Cc1ccc(CO)c(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-12(10(14)15)5-7-2-3-8(6-13)9(11)4-7/h2-4,13H,5-6H2,1H3,(H,14,15)
InChIKeyIQDYNDBEEBTBDT-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.43
Rot. Bonds3

About [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid

[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid (PubChem CID 67479420) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
PubChem CID67479420
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
SMILESCN(Cc1ccc(CO)c(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-12(10(14)15)5-7-2-3-8(6-13)9(11)4-7/h2-4,13H,5-6H2,1H3,(H,14,15)
InChIKeyIQDYNDBEEBTBDT-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid?
The IUPAC name of [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid (CID 67479420) is [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid.
What is the SMILES notation for [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid?
The canonical SMILES for [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid is CN(Cc1ccc(CO)c(F)c1)C(=O)O.
What is the InChIKey of [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid?
The InChIKey is IQDYNDBEEBTBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-12(10(14)15)5-7-2-3-8(6-13)9(11)4-7/h2-4,13H,5-6H2,1H3,(H,14,15).
What are the key properties of [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid?
[3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid has a molecular weight of 213.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid is sourced from PubChem (CID 67479420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).