2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine

C9H10ClF2NS — CID 127013361

IUPAC2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine
SMILESFC(F)C1CC(Nc2ccsc2Cl)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-6-3-5(4-6)9(11)12/h1-2,5-6,9,13H,3-4H2
InChIKeyLBCVXXMWVJXIGL-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine

2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine (PubChem CID 127013361) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine
PubChem CID127013361
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC Name2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine
SMILESFC(F)C1CC(Nc2ccsc2Cl)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-6-3-5(4-6)9(11)12/h1-2,5-6,9,13H,3-4H2
InChIKeyLBCVXXMWVJXIGL-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine?
The IUPAC name of 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine (CID 127013361) is 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine?
The canonical SMILES for 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine is FC(F)C1CC(Nc2ccsc2Cl)C1.
What is the InChIKey of 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine?
The InChIKey is LBCVXXMWVJXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-6-3-5(4-6)9(11)12/h1-2,5-6,9,13H,3-4H2.
What are the key properties of 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine?
2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine has a molecular weight of 237.70 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(difluoromethyl)cyclobutyl]thiophen-3-amine is sourced from PubChem (CID 127013361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).