4-[(2,3-difluorophenyl)methyl]thiolan-3-amine

C11H13F2NS — CID 83196495

IUPAC4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cccc(F)c1F
InChIInChI=1S/C11H13F2NS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10H,4-6,14H2
InChIKeyYQGCDLYCCUKVGQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.20
Rot. Bonds2

About 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine

4-[(2,3-difluorophenyl)methyl]thiolan-3-amine (PubChem CID 83196495) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
PubChem CID83196495
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1cccc(F)c1F
InChIInChI=1S/C11H13F2NS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10H,4-6,14H2
InChIKeyYQGCDLYCCUKVGQ-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-[(2,3-difluorophenyl)methyl]thiolan-3-ol
CID 83190277
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
4-[(2,3-difluorophenyl)methyl]thiolan-3-one
CID 83196682
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
3-chloro-4-[(3-chloro-2-fluorophenyl)methyl]thiolane
CID 102858343
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
(2,3-difluorophenyl)methanamine
CID 2736941
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
CID 105404563
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine (CID 83196495) is 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine is NC1CSCC1Cc1cccc(F)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine?
The InChIKey is YQGCDLYCCUKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10H,4-6,14H2.
What are the key properties of 4-[(2,3-difluorophenyl)methyl]thiolan-3-amine?
4-[(2,3-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-[(2,3-difluorophenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).