N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine

C15H16F3NOS — CID 118597107

IUPACN-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine
SMILESCc1sccc1N(C)c1ccc(F)cc1OC(CF)CF
InChIInChI=1S/C15H16F3NOS/c1-10-13(5-6-21-10)19(2)14-4-3-11(18)7-15(14)20-12(8-16)9-17/h3-7,12H,8-9H2,1-2H3
InChIKeyJMOZLGWQEQYZIC-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine

N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine (PubChem CID 118597107) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine.

Molecular Properties

Compound NameN-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine
PubChem CID118597107
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine
SMILESCc1sccc1N(C)c1ccc(F)cc1OC(CF)CF
InChIInChI=1S/C15H16F3NOS/c1-10-13(5-6-21-10)19(2)14-4-3-11(18)7-15(14)20-12(8-16)9-17/h3-7,12H,8-9H2,1-2H3
InChIKeyJMOZLGWQEQYZIC-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine?
The IUPAC name of N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine (CID 118597107) is N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine.
What is the SMILES notation for N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine?
The canonical SMILES for N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine is Cc1sccc1N(C)c1ccc(F)cc1OC(CF)CF.
What is the InChIKey of N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine?
The InChIKey is JMOZLGWQEQYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-10-13(5-6-21-10)19(2)14-4-3-11(18)7-15(14)20-12(8-16)9-17/h3-7,12H,8-9H2,1-2H3.
What are the key properties of N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine?
N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine has a molecular weight of 315.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-difluoropropan-2-yloxy)-4-fluorophenyl]-N,2-dimethylthiophen-3-amine is sourced from PubChem (CID 118597107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).