2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine

C10H10Cl2F3NOS — CID 103372597

IUPAC2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)c1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NOS/c11-7-2-1-3-8(12)9(7)18(17)5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2
InChIKeyIIMDFBHMLFLQTJ-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine

2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103372597) has the molecular formula C10H10Cl2F3NOS and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103372597
Molecular FormulaC10H10Cl2F3NOS
Molecular Weight320.16 g/mol
Exact Mass318.98
IUPAC Name2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)c1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NOS/c11-7-2-1-3-8(12)9(7)18(17)5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2
InChIKeyIIMDFBHMLFLQTJ-UHFFFAOYSA-N
XLogP3.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
3-(2,6-dichlorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 113318192
1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
CID 115477642
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
3,3,3-trifluoro-2-[(4-methylsulfonylphenyl)sulfinylmethyl]propan-1-amine
CID 103372592
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659
3-[(2,6-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534770
2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 79560259
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
3-(2,6-dichlorophenyl)sulfinyl-2-phenylpropanenitrile
CID 115477752
3,3,3-trifluoro-2-(2-methylpropylsulfinylmethyl)propan-1-amine
CID 103372577
methyl 2-acetamido-3-(2,6-dichlorophenyl)sulfinylpropanoate
CID 115477541

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine (CID 103372597) is 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)c1c(Cl)cccc1Cl)C(F)(F)F.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is IIMDFBHMLFLQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NOS/c11-7-2-1-3-8(12)9(7)18(17)5-6(4-16)10(13,14)15/h1-3,6H,4-5,16H2.
What are the key properties of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine?
2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 320.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).