3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine

C10H13ClFNS — CID 164647313

IUPAC3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1(F)c1sccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-9(2)7(13)5-10(9,12)8-6(11)3-4-14-8/h3-4,7H,5,13H2,1-2H3
InChIKeyRMMKRSYYLOOVCN-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.32
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine

3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine (PubChem CID 164647313) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine
PubChem CID164647313
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Name3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1(F)c1sccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-9(2)7(13)5-10(9,12)8-6(11)3-4-14-8/h3-4,7H,5,13H2,1-2H3
InChIKeyRMMKRSYYLOOVCN-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine (CID 164647313) is 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1(F)c1sccc1Cl.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine?
The InChIKey is RMMKRSYYLOOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c1-9(2)7(13)5-10(9,12)8-6(11)3-4-14-8/h3-4,7H,5,13H2,1-2H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine?
3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine has a molecular weight of 233.74 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 164647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).