2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

C8H16F3NOS — CID 103372581

IUPAC2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCCCS(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-2-3-4-14(13)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyQOSWWGYZRPYDRN-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.67
Rot. Bonds6

About 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372581) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372581
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCCCS(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-2-3-4-14(13)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyQOSWWGYZRPYDRN-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
3-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 115519838
1-fluoro-2-(2-methylpropylsulfanyl)-N-propan-2-ylethanesulfinamide
CID 126549643
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372581) is 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is CCCCS(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is QOSWWGYZRPYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-2-3-4-14(13)6-7(5-12)8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 231.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).