N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine

C13H13F2NOS — CID 66351002

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2NOS/c1-9(16-11-6-7-18-8-11)10-2-4-12(5-3-10)17-13(14)15/h2-9,13,16H,1H3
InChIKeyRWHKYXKSZRNGJS-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.52
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine

N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine (PubChem CID 66351002) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine
PubChem CID66351002
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2NOS/c1-9(16-11-6-7-18-8-11)10-2-4-12(5-3-10)17-13(14)15/h2-9,13,16H,1H3
InChIKeyRWHKYXKSZRNGJS-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine (CID 66351002) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine is CC(Nc1ccsc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The InChIKey is RWHKYXKSZRNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-9(16-11-6-7-18-8-11)10-2-4-12(5-3-10)17-13(14)15/h2-9,13,16H,1H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine has a molecular weight of 269.32 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]thiophen-3-amine is sourced from PubChem (CID 66351002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).