1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine

C12H15F2NS — CID 117360639

IUPAC1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2SC(F)F)CC1
InChIInChI=1S/C12H15F2NS/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeyYZAVDEBUXUFFJO-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.38
Rot. Bonds4

About 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine

1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117360639) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
PubChem CID117360639
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccccc2SC(F)F)CC1
InChIInChI=1S/C12H15F2NS/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeyYZAVDEBUXUFFJO-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine (CID 117360639) is 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccccc2SC(F)F)CC1.
What is the InChIKey of 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is YZAVDEBUXUFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-8(15)12(6-7-12)9-4-2-3-5-10(9)16-11(13)14/h2-5,8,11H,6-7,15H2,1H3.
What are the key properties of 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine?
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117360639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).