3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine

C10H13F2NS — CID 131204148

IUPAC3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1sccc1CNC1CC(F)(F)C1
InChIInChI=1S/C10H13F2NS/c1-7-8(2-3-14-7)6-13-9-4-10(11,12)5-9/h2-3,9,13H,4-6H2,1H3
InChIKeyWIKABXKNNWACKV-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.94
Rot. Bonds3

About 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine

3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine (PubChem CID 131204148) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
PubChem CID131204148
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1sccc1CNC1CC(F)(F)C1
InChIInChI=1S/C10H13F2NS/c1-7-8(2-3-14-7)6-13-9-4-10(11,12)5-9/h2-3,9,13H,4-6H2,1H3
InChIKeyWIKABXKNNWACKV-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
4-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 6485295
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
1-Phenyl-N-(2-thienylmethyl)-1-ethanamine
CID 2760382
1-(3-Trifluoromethyl-thiophenyl)-2-ethylaminopropane
CID 129734993
n-((3-Methylthiophen-2-yl)methyl)heptan-2-amine
CID 16259083
1-cyclopropyl-N-(thiophen-2-ylmethyl)ethanamine
CID 16258992

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine (CID 131204148) is 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine is Cc1sccc1CNC1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is WIKABXKNNWACKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7-8(2-3-14-7)6-13-9-4-10(11,12)5-9/h2-3,9,13H,4-6H2,1H3.
What are the key properties of 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 131204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).