N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine

C11H15F2NS — CID 114749080

IUPACN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCc1scc(CNCC(F)F)c1C1CC1
InChIInChI=1S/C11H15F2NS/c1-7-11(8-2-3-8)9(6-15-7)4-14-5-10(12)13/h6,8,10,14H,2-5H2,1H3
InChIKeyFCKKDQJJAPCVBZ-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.29
Rot. Bonds5

About N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine

N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine (PubChem CID 114749080) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
PubChem CID114749080
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC NameN-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCc1scc(CNCC(F)F)c1C1CC1
InChIInChI=1S/C11H15F2NS/c1-7-11(8-2-3-8)9(6-15-7)4-14-5-10(12)13/h6,8,10,14H,2-5H2,1H3
InChIKeyFCKKDQJJAPCVBZ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine (CID 114749080) is N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine is Cc1scc(CNCC(F)F)c1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is FCKKDQJJAPCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-7-11(8-2-3-8)9(6-15-7)4-14-5-10(12)13/h6,8,10,14H,2-5H2,1H3.
What are the key properties of N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 231.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 114749080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).