3-fluoro-4-(hydroxymethyl)benzenecarboximidamide

C8H9FN2O — CID 43165102

IUPAC3-fluoro-4-(hydroxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CO)c(F)c1
InChIInChI=1S/C8H9FN2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-3,12H,4H2,(H3,10,11)
InChIKeyYXHWNFYLUGMZRB-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.60
Rot. Bonds2

About 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide

3-fluoro-4-(hydroxymethyl)benzenecarboximidamide (PubChem CID 43165102) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(hydroxymethyl)benzenecarboximidamide
PubChem CID43165102
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-fluoro-4-(hydroxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CO)c(F)c1
InChIInChI=1S/C8H9FN2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-3,12H,4H2,(H3,10,11)
InChIKeyYXHWNFYLUGMZRB-UHFFFAOYSA-N
XLogP0.60
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(Hydroxymethyl)Benzamidine
CID 448513
3-(Hydroxymethyl)benzene-1-carboximidamide
CID 43165100
4-(2-Hydroxyethyl)benzenecarboximidamide
CID 44394348
4-(1,3,2-Dioxaborolan-2-yloxymethyl)benzenecarboximidamide
CID 5289340
N'-hydroxy-3-(hydroxymethyl)benzene-1-carboximidamide
CID 43165091
[4-(Aminomethyl)-2-fluorophenyl]methanol
CID 43165042
[4-(Aminomethyl)-3-fluorophenyl]methanol
CID 68453663
(4-(Aminomethyl)-2-fluorophenyl)methanol hydrochloride
CID 71757349
[4-(Aminomethyl)-3-fluorophenyl]methanol hydrochloride
CID 165947644
[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine
CID 5289339
(4-(Aminomethyl)-3,5-difluorophenyl)methanol
CID 178253258
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 43165095

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide (CID 43165102) is 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide?
The InChIKey is YXHWNFYLUGMZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-3,12H,4H2,(H3,10,11).
What are the key properties of 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide?
3-fluoro-4-(hydroxymethyl)benzenecarboximidamide has a molecular weight of 168.17 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(hydroxymethyl)benzenecarboximidamide is sourced from PubChem (CID 43165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).