3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine

C9H12FNS — CID 112564097

IUPAC3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
SMILESCc1ccsc1C1(F)CC(N)C1
InChIInChI=1S/C9H12FNS/c1-6-2-3-12-8(6)9(10)4-7(11)5-9/h2-3,7H,4-5,11H2,1H3
InChIKeyKQPZSUHPKYUPBV-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine

3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine (PubChem CID 112564097) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
PubChem CID112564097
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
SMILESCc1ccsc1C1(F)CC(N)C1
InChIInChI=1S/C9H12FNS/c1-6-2-3-12-8(6)9(10)4-7(11)5-9/h2-3,7H,4-5,11H2,1H3
InChIKeyKQPZSUHPKYUPBV-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine (CID 112564097) is 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine is Cc1ccsc1C1(F)CC(N)C1.
What is the InChIKey of 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The InChIKey is KQPZSUHPKYUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-6-2-3-12-8(6)9(10)4-7(11)5-9/h2-3,7H,4-5,11H2,1H3.
What are the key properties of 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methylthiophen-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 112564097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).