4-[(3,5-difluorophenyl)methyl]thiolan-3-amine

C11H13F2NS — CID 105404563

IUPAC4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NS/c12-9-2-7(3-10(13)4-9)1-8-5-15-6-11(8)14/h2-4,8,11H,1,5-6,14H2
InChIKeyAJGPIQWMYGOUBE-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.20
Rot. Bonds2

About 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine

4-[(3,5-difluorophenyl)methyl]thiolan-3-amine (PubChem CID 105404563) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
PubChem CID105404563
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NS/c12-9-2-7(3-10(13)4-9)1-8-5-15-6-11(8)14/h2-4,8,11H,1,5-6,14H2
InChIKeyAJGPIQWMYGOUBE-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-difluorophenyl)methyl]thiolan-3-ol
CID 105407728
4-[(4-bromophenyl)methyl]thiolan-3-amine
CID 83197022
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 105411409
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
3-chloro-4-[(3-fluorophenyl)methyl]thiolane
CID 83190405
2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 105404534
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
3-[(3,5-difluorophenyl)methyl]cycloheptan-1-amine
CID 105409667
4-(2,2-difluoroethyl)thiolan-3-amine
CID 115013309
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine (CID 105404563) is 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine is NC1CSCC1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine?
The InChIKey is AJGPIQWMYGOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-9-2-7(3-10(13)4-9)1-8-5-15-6-11(8)14/h2-4,8,11H,1,5-6,14H2.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine?
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine has a molecular weight of 229.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 105404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).