N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine

C11H15F2NS — CID 130216957

IUPACN-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
SMILESC=C(NCC(C)(F)F)c1sc(C)cc1C
InChIInChI=1S/C11H15F2NS/c1-7-5-8(2)15-10(7)9(3)14-6-11(4,12)13/h5,14H,3,6H2,1-2,4H3
InChIKeyCMKFHKNBZOOGHK-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine

N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine (PubChem CID 130216957) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
PubChem CID130216957
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC NameN-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
SMILESC=C(NCC(C)(F)F)c1sc(C)cc1C
InChIInChI=1S/C11H15F2NS/c1-7-5-8(2)15-10(7)9(3)14-6-11(4,12)13/h5,14H,3,6H2,1-2,4H3
InChIKeyCMKFHKNBZOOGHK-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine?
The IUPAC name of N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine (CID 130216957) is N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine is C=C(NCC(C)(F)F)c1sc(C)cc1C.
What is the InChIKey of N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine?
The InChIKey is CMKFHKNBZOOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-7-5-8(2)15-10(7)9(3)14-6-11(4,12)13/h5,14H,3,6H2,1-2,4H3.
What are the key properties of N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine?
N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130216957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).