6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine

C13H18F3NOS — CID 106808069

IUPAC6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NOS/c1-2-11(17)6-4-8-19(18)12-7-3-5-10(9-12)13(14,15)16/h3,5,7,9,11H,2,4,6,8,17H2,1H3
InChIKeySVJSNVFPBCUBGC-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.33
Rot. Bonds6

About 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine

6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine (PubChem CID 106808069) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
PubChem CID106808069
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NOS/c1-2-11(17)6-4-8-19(18)12-7-3-5-10(9-12)13(14,15)16/h3,5,7,9,11H,2,4,6,8,17H2,1H3
InChIKeySVJSNVFPBCUBGC-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869
6-(3-methoxyphenyl)sulfinylhexan-3-amine
CID 106807932
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
CID 21391063
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
4-[[3-(trifluoromethyl)phenyl]methylsulfinyl]butan-2-amine
CID 81195470
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine (CID 106808069) is 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine is CCC(N)CCCS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine?
The InChIKey is SVJSNVFPBCUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-11(17)6-4-8-19(18)12-7-3-5-10(9-12)13(14,15)16/h3,5,7,9,11H,2,4,6,8,17H2,1H3.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine?
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine has a molecular weight of 293.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine is sourced from PubChem (CID 106808069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).