1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine

C10H10F3NS — CID 124707141

IUPAC1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(SC(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)15-8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2
InChIKeyQSUUPXJYHIQNBW-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.25
Rot. Bonds2

About 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine

1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine (PubChem CID 124707141) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine
PubChem CID124707141
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(SC(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)15-8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2
InChIKeyQSUUPXJYHIQNBW-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine (CID 124707141) is 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine is NC1(c2ccc(SC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine?
The InChIKey is QSUUPXJYHIQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)15-8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2.
What are the key properties of 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine?
1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine has a molecular weight of 233.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 124707141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).