4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine

C10H13FN2S — CID 103062345

IUPAC4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NC1CCSC1
InChIInChI=1S/C10H13FN2S/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyZNTBZCBXVWIWDW-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.33
Rot. Bonds2

About 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine

4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine (PubChem CID 103062345) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
PubChem CID103062345
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NC1CCSC1
InChIInChI=1S/C10H13FN2S/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyZNTBZCBXVWIWDW-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
2-iodo-1-N-(thiolan-3-yl)benzene-1,4-diamine
CID 103062329
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796
4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954
4-fluoro-5-propoxy-1-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062409
N-(2-chloro-4-fluorophenyl)thian-4-amine
CID 43511380
3-methyl-5-N-(thiolan-3-yl)isoquinoline-5,8-diamine
CID 103062439
5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
CID 103063774
(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
CID 105483112
N-[2-fluoro-4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 103704322
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
CID 115889550
4-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine (CID 103062345) is 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine is Nc1ccc(F)cc1NC1CCSC1.
What is the InChIKey of 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine?
The InChIKey is ZNTBZCBXVWIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2.
What are the key properties of 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine?
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine has a molecular weight of 212.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 103062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).