3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride

C14H15Cl2FN2O — CID 175793778

IUPAC3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(COc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O.2ClH/c15-13-8-10(14(16)17)6-7-11(13)9-18-12-4-2-1-3-5-12;;/h1-8H,9H2,(H3,16,17);2*1H
InChIKeyCJUJCFQHYGKVIK-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.53
Rot. Bonds4

About 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride

3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride (PubChem CID 175793778) has the molecular formula C14H15Cl2FN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
PubChem CID175793778
Molecular FormulaC14H15Cl2FN2O
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(COc2ccccc2)c(F)c1
InChIInChI=1S/C14H13FN2O.2ClH/c15-13-8-10(14(16)17)6-7-11(13)9-18-12-4-2-1-3-5-12;;/h1-8H,9H2,(H3,16,17);2*1H
InChIKeyCJUJCFQHYGKVIK-UHFFFAOYSA-N
XLogP3.53
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride (CID 175793778) is 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(COc2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride?
The InChIKey is CJUJCFQHYGKVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O.2ClH/c15-13-8-10(14(16)17)6-7-11(13)9-18-12-4-2-1-3-5-12;;/h1-8H,9H2,(H3,16,17);2*1H.
What are the key properties of 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride?
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride has a molecular weight of 317.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 175793778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).