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

C11H14F3NOS — CID 115478174

IUPAC3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
SMILESCC(CCN)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NOS/c1-8(5-6-15)17(16)10-4-2-3-9(7-10)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKeyAHBMUHRQBBNYPB-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.55
Rot. Bonds4

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

3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine (PubChem CID 115478174) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
PubChem CID115478174
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
SMILESCC(CCN)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NOS/c1-8(5-6-15)17(16)10-4-2-3-9(7-10)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKeyAHBMUHRQBBNYPB-UHFFFAOYSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]butan-1-amine
CID 81194337
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
CID 53444038
CID 53444038
2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
CID 115478188
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
4-[[3-(trifluoromethyl)phenyl]methylsulfinyl]butan-2-amine
CID 81195470
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene
CID 14816295
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethanamine
CID 58684611

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine (CID 115478174) is 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine is CC(CCN)S(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine?
The InChIKey is AHBMUHRQBBNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-8(5-6-15)17(16)10-4-2-3-9(7-10)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine?
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 2.55, 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]sulfinylbutan-1-amine is sourced from PubChem (CID 115478174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).