N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine

C10H13F2NS — CID 131162895

IUPACN-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCC1CC(F)(F)C1
InChIInChI=1S/C10H13F2NS/c1-7-5-14-6-9(7)13-4-8-2-10(11,12)3-8/h5-6,8,13H,2-4H2,1H3
InChIKeyTXVYUOWPJGOBJH-UHFFFAOYSA-N
MW217.28 g/mol
LogP3.51
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine

N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine (PubChem CID 131162895) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine
PubChem CID131162895
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCC1CC(F)(F)C1
InChIInChI=1S/C10H13F2NS/c1-7-5-14-6-9(7)13-4-8-2-10(11,12)3-8/h5-6,8,13H,2-4H2,1H3
InChIKeyTXVYUOWPJGOBJH-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine (CID 131162895) is N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine is Cc1cscc1NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine?
The InChIKey is TXVYUOWPJGOBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7-5-14-6-9(7)13-4-8-2-10(11,12)3-8/h5-6,8,13H,2-4H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine?
N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine has a molecular weight of 217.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 131162895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).