N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine

C10H13F2NS — CID 126999850

IUPACN-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NC1CC(C(F)F)C1
InChIInChI=1S/C10H13F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h4-5,7-8,10,13H,2-3H2,1H3
InChIKeyUMFPLZXNZILTTB-UHFFFAOYSA-N
MW217.28 g/mol
LogP3.51
Rot. Bonds3

About N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine

N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine (PubChem CID 126999850) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine
PubChem CID126999850
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NC1CC(C(F)F)C1
InChIInChI=1S/C10H13F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h4-5,7-8,10,13H,2-3H2,1H3
InChIKeyUMFPLZXNZILTTB-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-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine (CID 126999850) is N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine is Cc1cscc1NC1CC(C(F)F)C1.
What is the InChIKey of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine?
The InChIKey is UMFPLZXNZILTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h4-5,7-8,10,13H,2-3H2,1H3.
What are the key properties of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine?
N-[3-(difluoromethyl)cyclobutyl]-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-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 126999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).