1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine

C14H15ClFNS — CID 43154322

IUPAC1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(16)8-11(10)15/h4-8,12H,2-3,17H2,1H3
InChIKeyMVMZGYLEVXMDOJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.01
Rot. Bonds4

About 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine

1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43154322) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID43154322
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(16)8-11(10)15/h4-8,12H,2-3,17H2,1H3
InChIKeyMVMZGYLEVXMDOJ-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine (CID 43154322) is 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2ccc(F)cc2Cl)s1.
What is the InChIKey of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is MVMZGYLEVXMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-3-12(17)14-7-6-13(18-14)10-5-4-9(16)8-11(10)15/h4-8,12H,2-3,17H2,1H3.
What are the key properties of 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine?
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43154322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).