3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine

C10H12F3NOS — CID 58684235

IUPAC3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)8-3-1-4-9(7-8)16(15)6-2-5-14/h1,3-4,7H,2,5-6,14H2
InChIKeyYVFMWOBAWPTFQO-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.16
Rot. Bonds4

About 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine

3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine (PubChem CID 58684235) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine
PubChem CID58684235
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)8-3-1-4-9(7-8)16(15)6-2-5-14/h1,3-4,7H,2,5-6,14H2
InChIKeyYVFMWOBAWPTFQO-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24700407
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine (CID 58684235) is 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine is NCCCS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine?
The InChIKey is YVFMWOBAWPTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)8-3-1-4-9(7-8)16(15)6-2-5-14/h1,3-4,7H,2,5-6,14H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine?
3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine has a molecular weight of 251.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).