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

C6H12F3NOS — CID 103372569

IUPAC2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-2-12(11)4-5(3-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyNBMQXYJMXLPIIL-UHFFFAOYSA-N
MW203.23 g/mol
LogP0.89
Rot. Bonds4

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

2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372569) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372569
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCCS(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-2-12(11)4-5(3-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyNBMQXYJMXLPIIL-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane
CID 58684100
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(3-Fluoropropylsulfinyl)propan-1-amine
CID 58684382
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2-Fluoroethylsulfinyl)propan-1-amine
CID 58684411
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
2-(4-Fluorobutylsulfinyl)ethanamine
CID 58684612
2-(3-Fluoropropylsulfinyl)ethanamine
CID 58684634
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372569) is 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is CCS(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NBMQXYJMXLPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-2-12(11)4-5(3-10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).