3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine

C8H16F3NOS — CID 81328435

IUPAC3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)S(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(2,3)14(13)6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyBORHORNTSJCVTR-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.81
Rot. Bonds3

About 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine

3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine (PubChem CID 81328435) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine
PubChem CID81328435
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)S(=O)C(CCN)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(2,3)14(13)6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyBORHORNTSJCVTR-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
2-(4,4,4-Trifluorobutylsulfinyl)ethanamine
CID 58684777
3-(2,2-Difluoroethylsulfinyl)propan-1-amine
CID 58684917
2-(3,3,3-Trifluoropropylsulfinyl)ethanamine
CID 81176381
4-(3,3,3-Trifluoropropylsulfinyl)butan-2-amine
CID 81194779
3-(3,3,3-Trifluoropropylsulfonyl)butan-1-amine
CID 81195047
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
3-[(RS)-(4,4,5,5,5-Pentafluoropentyl)sulphinyl]propane-1-amine
CID 88121082

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine (CID 81328435) is 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine is CC(C)(C)S(=O)C(CCN)C(F)(F)F.
What is the InChIKey of 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is BORHORNTSJCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-7(2,3)14(13)6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine?
3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 231.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfinyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 81328435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).