4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine

C13H14FNOS — CID 82481242

IUPAC4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCC(C)Oc1ccc(-c2csc(N)c2)cc1F
InChIInChI=1S/C13H14FNOS/c1-8(2)16-12-4-3-9(5-11(12)14)10-6-13(15)17-7-10/h3-8H,15H2,1-2H3
InChIKeyBFJKBVDLXMLZOL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.92
Rot. Bonds3

About 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine

4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine (PubChem CID 82481242) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine
PubChem CID82481242
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCC(C)Oc1ccc(-c2csc(N)c2)cc1F
InChIInChI=1S/C13H14FNOS/c1-8(2)16-12-4-3-9(5-11(12)14)10-6-13(15)17-7-10/h3-8H,15H2,1-2H3
InChIKeyBFJKBVDLXMLZOL-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine?
The IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine (CID 82481242) is 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine?
The canonical SMILES for 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine is CC(C)Oc1ccc(-c2csc(N)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine?
The InChIKey is BFJKBVDLXMLZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8(2)16-12-4-3-9(5-11(12)14)10-6-13(15)17-7-10/h3-8H,15H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine?
4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-yloxyphenyl)thiophen-2-amine is sourced from PubChem (CID 82481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).