3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine

C16H18FNS — CID 62841675

IUPAC3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2F)C1)c1ccsc1
InChIInChI=1S/C16H18FNS/c1-11(12-6-7-19-10-12)18-14-8-13(9-14)15-4-2-3-5-16(15)17/h2-7,10-11,13-14,18H,8-9H2,1H3
InChIKeyQDKNSVJASHAJGM-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.48
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine

3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine (PubChem CID 62841675) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
PubChem CID62841675
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2F)C1)c1ccsc1
InChIInChI=1S/C16H18FNS/c1-11(12-6-7-19-10-12)18-14-8-13(9-14)15-4-2-3-5-16(15)17/h2-7,10-11,13-14,18H,8-9H2,1H3
InChIKeyQDKNSVJASHAJGM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine (CID 62841675) is 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine is CC(NC1CC(c2ccccc2F)C1)c1ccsc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine?
The InChIKey is QDKNSVJASHAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11(12-6-7-19-10-12)18-14-8-13(9-14)15-4-2-3-5-16(15)17/h2-7,10-11,13-14,18H,8-9H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 62841675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).