N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine

C12H15F2NOS — CID 79941506

IUPACN-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
SMILESCC1CC(Nc2ccccc2OC(F)F)CS1
InChIInChI=1S/C12H15F2NOS/c1-8-6-9(7-17-8)15-10-4-2-3-5-11(10)16-12(13)14/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyDPHZLCGVLAGLOP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine

N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine (PubChem CID 79941506) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
PubChem CID79941506
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
SMILESCC1CC(Nc2ccccc2OC(F)F)CS1
InChIInChI=1S/C12H15F2NOS/c1-8-6-9(7-17-8)15-10-4-2-3-5-11(10)16-12(13)14/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyDPHZLCGVLAGLOP-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine (CID 79941506) is N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine is CC1CC(Nc2ccccc2OC(F)F)CS1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine?
The InChIKey is DPHZLCGVLAGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8-6-9(7-17-8)15-10-4-2-3-5-11(10)16-12(13)14/h2-5,8-9,12,15H,6-7H2,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine?
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine has a molecular weight of 259.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79941506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).