5-[4-(difluoromethyl)phenyl]thiophen-2-amine

C11H9F2NS — CID 19014286

IUPAC5-[4-(difluoromethyl)phenyl]thiophen-2-amine
SMILESNc1ccc(-c2ccc(C(F)F)cc2)s1
InChIInChI=1S/C11H9F2NS/c12-11(13)8-3-1-7(2-4-8)9-5-6-10(14)15-9/h1-6,11H,14H2
InChIKeyBCOZWFPZLNYSLO-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.93
Rot. Bonds2

About 5-[4-(difluoromethyl)phenyl]thiophen-2-amine

5-[4-(difluoromethyl)phenyl]thiophen-2-amine (PubChem CID 19014286) has the molecular formula C11H9F2NS and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenyl]thiophen-2-amine
PubChem CID19014286
Molecular FormulaC11H9F2NS
Molecular Weight225.26 g/mol
Exact Mass225.04
IUPAC Name5-[4-(difluoromethyl)phenyl]thiophen-2-amine
SMILESNc1ccc(-c2ccc(C(F)F)cc2)s1
InChIInChI=1S/C11H9F2NS/c12-11(13)8-3-1-7(2-4-8)9-5-6-10(14)15-9/h1-6,11H,14H2
InChIKeyBCOZWFPZLNYSLO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenyl]thiophen-2-amine?
The IUPAC name of 5-[4-(difluoromethyl)phenyl]thiophen-2-amine (CID 19014286) is 5-[4-(difluoromethyl)phenyl]thiophen-2-amine.
What is the SMILES notation for 5-[4-(difluoromethyl)phenyl]thiophen-2-amine?
The canonical SMILES for 5-[4-(difluoromethyl)phenyl]thiophen-2-amine is Nc1ccc(-c2ccc(C(F)F)cc2)s1.
What is the InChIKey of 5-[4-(difluoromethyl)phenyl]thiophen-2-amine?
The InChIKey is BCOZWFPZLNYSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NS/c12-11(13)8-3-1-7(2-4-8)9-5-6-10(14)15-9/h1-6,11H,14H2.
What are the key properties of 5-[4-(difluoromethyl)phenyl]thiophen-2-amine?
5-[4-(difluoromethyl)phenyl]thiophen-2-amine has a molecular weight of 225.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)phenyl]thiophen-2-amine is sourced from PubChem (CID 19014286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).