3-(2-fluorophenyl)sulfanylbutanimidamide

C10H13FN2S — CID 60912658

IUPAC3-(2-fluorophenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccccc1F
InChIInChI=1S/C10H13FN2S/c1-7(6-10(12)13)14-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyUBRIHFQRXXFZMI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-fluorophenyl)sulfanylbutanimidamide

3-(2-fluorophenyl)sulfanylbutanimidamide (PubChem CID 60912658) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanylbutanimidamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanylbutanimidamide
PubChem CID60912658
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name3-(2-fluorophenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccccc1F
InChIInChI=1S/C10H13FN2S/c1-7(6-10(12)13)14-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H3,12,13)
InChIKeyUBRIHFQRXXFZMI-UHFFFAOYSA-N
XLogP2.63
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
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-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
3-phenylsulfanylbutanimidamide
CID 60915236
3-(2,5-dichlorophenyl)sulfanylbutanimidamide
CID 60912657
3-benzylsulfanylbutanimidamide
CID 60915407
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanylbutanimidamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanylbutanimidamide (CID 60912658) is 3-(2-fluorophenyl)sulfanylbutanimidamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanylbutanimidamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanylbutanimidamide is [H]/N=C(\N)CC(C)Sc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanylbutanimidamide?
The InChIKey is UBRIHFQRXXFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-7(6-10(12)13)14-9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3,(H3,12,13).
What are the key properties of 3-(2-fluorophenyl)sulfanylbutanimidamide?
3-(2-fluorophenyl)sulfanylbutanimidamide has a molecular weight of 212.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanylbutanimidamide is sourced from PubChem (CID 60912658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).