2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine

C9H11F2NS — CID 83107707

IUPAC2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SC(F)(F)CN
InChIInChI=1S/C9H11F2NS/c1-7-4-2-3-5-8(7)13-9(10,11)6-12/h2-5H,6,12H2,1H3
InChIKeyYJBCJVMASZWNRB-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.64
Rot. Bonds3

About 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine

2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 83107707) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine
PubChem CID83107707
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SC(F)(F)CN
InChIInChI=1S/C9H11F2NS/c1-7-4-2-3-5-8(7)13-9(10,11)6-12/h2-5H,6,12H2,1H3
InChIKeyYJBCJVMASZWNRB-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-(2-methylphenyl)sulfanylpropan-1-amine
CID 60891622
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
CID 91927221
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358
[1-(2-methylphenyl)sulfanylcyclopent-3-en-1-yl]methanamine
CID 66093407
2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
CID 122164073
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
1-amino-3-(2-methylphenyl)sulfanyl-2-phenylpropan-2-ol
CID 64813417
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
2-(2-methylphenyl)sulfanyl-2-propylpentanenitrile
CID 66092993
ethanamine;1,2-xylene
CID 160781195
2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine (CID 83107707) is 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is YJBCJVMASZWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c1-7-4-2-3-5-8(7)13-9(10,11)6-12/h2-5H,6,12H2,1H3.
What are the key properties of 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine?
2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 203.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 83107707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).