N-[(4-fluorophenyl)methyl]thiophen-3-amine

C11H10FNS — CID 66350598

IUPACN-[(4-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C11H10FNS/c12-10-3-1-9(2-4-10)7-13-11-5-6-14-8-11/h1-6,8,13H,7H2
InChIKeyFQXIPJMTOAUHJX-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.50
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]thiophen-3-amine

N-[(4-fluorophenyl)methyl]thiophen-3-amine (PubChem CID 66350598) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]thiophen-3-amine
PubChem CID66350598
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC NameN-[(4-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1ccc(CNc2ccsc2)cc1
InChIInChI=1S/C11H10FNS/c12-10-3-1-9(2-4-10)7-13-11-5-6-14-8-11/h1-6,8,13H,7H2
InChIKeyFQXIPJMTOAUHJX-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]thiophen-3-amine (CID 66350598) is N-[(4-fluorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]thiophen-3-amine is Fc1ccc(CNc2ccsc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]thiophen-3-amine?
The InChIKey is FQXIPJMTOAUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c12-10-3-1-9(2-4-10)7-13-11-5-6-14-8-11/h1-6,8,13H,7H2.
What are the key properties of N-[(4-fluorophenyl)methyl]thiophen-3-amine?
N-[(4-fluorophenyl)methyl]thiophen-3-amine has a molecular weight of 207.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66350598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).