4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine

C11H13ClFNS — CID 102616769

IUPAC4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-9(13)4-7(10)3-8-5-15-6-11(8)14/h1-2,4,8,11H,3,5-6,14H2
InChIKeyWYAOXSDXCJMPJE-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.71
Rot. Bonds2

About 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine

4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine (PubChem CID 102616769) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
PubChem CID102616769
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC Name4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-9(13)4-7(10)3-8-5-15-6-11(8)14/h1-2,4,8,11H,3,5-6,14H2
InChIKeyWYAOXSDXCJMPJE-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 102616734
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
CID 105404563
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
3-chloro-4-[(2,4-difluorophenyl)methyl]thiolane
CID 83191354
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine (CID 102616769) is 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine is NC1CSCC1Cc1cc(F)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine?
The InChIKey is WYAOXSDXCJMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c12-10-2-1-9(13)4-7(10)3-8-5-15-6-11(8)14/h1-2,4,8,11H,3,5-6,14H2.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine?
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine has a molecular weight of 245.75 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 102616769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).