3-(2-fluorophenoxy)pentanimidamide

C11H15FN2O — CID 43368257

IUPAC3-(2-fluorophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H3,13,14)
InChIKeyGXGLFLMELQNSFH-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.31
Rot. Bonds5

About 3-(2-fluorophenoxy)pentanimidamide

3-(2-fluorophenoxy)pentanimidamide (PubChem CID 43368257) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)pentanimidamide
PubChem CID43368257
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(2-fluorophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H3,13,14)
InChIKeyGXGLFLMELQNSFH-UHFFFAOYSA-N
XLogP2.31
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.31
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

3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
3-(3-methylphenoxy)pentanimidamide
CID 43368318
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
3-(4-propoxyphenoxy)pentanimidamide
CID 43368840
3-(3,4-dimethylphenoxy)pentanimidamide
CID 43368304
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
3-(2,4-difluorophenoxy)butanimidamide
CID 114995388
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)pentanimidamide?
The IUPAC name of 3-(2-fluorophenoxy)pentanimidamide (CID 43368257) is 3-(2-fluorophenoxy)pentanimidamide.
What is the SMILES notation for 3-(2-fluorophenoxy)pentanimidamide?
The canonical SMILES for 3-(2-fluorophenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)pentanimidamide?
The InChIKey is GXGLFLMELQNSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H3,13,14).
What are the key properties of 3-(2-fluorophenoxy)pentanimidamide?
3-(2-fluorophenoxy)pentanimidamide has a molecular weight of 210.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)pentanimidamide is sourced from PubChem (CID 43368257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).