2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine

C9H10ClF2NS — CID 130993829

IUPAC2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine
SMILESFC1(F)CC(CNc2ccsc2Cl)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-5-6-3-9(11,12)4-6/h1-2,6,13H,3-5H2
InChIKeyUMZACWMODKFJED-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine

2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine (PubChem CID 130993829) has the molecular formula C9H10ClF2NS and a molecular weight of 237.70 g/mol. Its IUPAC name is 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine
PubChem CID130993829
Molecular FormulaC9H10ClF2NS
Molecular Weight237.70 g/mol
Exact Mass237.02
IUPAC Name2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine
SMILESFC1(F)CC(CNc2ccsc2Cl)C1
InChIInChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-5-6-3-9(11,12)4-6/h1-2,6,13H,3-5H2
InChIKeyUMZACWMODKFJED-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-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine?
The IUPAC name of 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine (CID 130993829) is 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine?
The canonical SMILES for 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine is FC1(F)CC(CNc2ccsc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine?
The InChIKey is UMZACWMODKFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NS/c10-8-7(1-2-14-8)13-5-6-3-9(11,12)4-6/h1-2,6,13H,3-5H2.
What are the key properties of 2-chloro-N-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine?
2-chloro-N-[(3,3-difluorocyclobutyl)methyl]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-[(3,3-difluorocyclobutyl)methyl]thiophen-3-amine is sourced from PubChem (CID 130993829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).