(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine

C12H10ClF2NOS — CID 43140072

IUPAC(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)s1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10ClF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2
InChIKeyZPJMVCHLHHFXPJ-UHFFFAOYSA-N
MW289.73 g/mol
LogP4.05
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine

(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 43140072) has the molecular formula C12H10ClF2NOS and a molecular weight of 289.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID43140072
Molecular FormulaC12H10ClF2NOS
Molecular Weight289.73 g/mol
Exact Mass289.01
IUPAC Name(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)s1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10ClF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2
InChIKeyZPJMVCHLHHFXPJ-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine (CID 43140072) is (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(Cl)s1)c1ccccc1OC(F)F.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is ZPJMVCHLHHFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2.
What are the key properties of (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 289.73 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 43140072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).