(3,5-difluoro-4-methylsulfanylphenyl)methanamine

C8H9F2NS — CID 63814041

IUPAC(3,5-difluoro-4-methylsulfanylphenyl)methanamine
SMILESCSc1c(F)cc(CN)cc1F
InChIInChI=1S/C8H9F2NS/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyXERIQXOCUZZHBA-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.15
Rot. Bonds2

About (3,5-difluoro-4-methylsulfanylphenyl)methanamine

(3,5-difluoro-4-methylsulfanylphenyl)methanamine (PubChem CID 63814041) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is (3,5-difluoro-4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluoro-4-methylsulfanylphenyl)methanamine
PubChem CID63814041
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name(3,5-difluoro-4-methylsulfanylphenyl)methanamine
SMILESCSc1c(F)cc(CN)cc1F
InChIInChI=1S/C8H9F2NS/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyXERIQXOCUZZHBA-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
CID 63808591
[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
CID 63808183
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
1-(3,5-difluoro-4-methylsulfanylphenyl)propan-2-one
CID 117308087
[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807700
CID 59545109
CID 59545109
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
3-(3,5-difluoro-4-methylsulfanylphenyl)-2,2-dimethylpropanoic acid
CID 117404944
4-(3,5-difluoro-4-methylsulfanylphenyl)butanoic acid
CID 117367788

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-methylsulfanylphenyl)methanamine?
The IUPAC name of (3,5-difluoro-4-methylsulfanylphenyl)methanamine (CID 63814041) is (3,5-difluoro-4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (3,5-difluoro-4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (3,5-difluoro-4-methylsulfanylphenyl)methanamine is CSc1c(F)cc(CN)cc1F.
What is the InChIKey of (3,5-difluoro-4-methylsulfanylphenyl)methanamine?
The InChIKey is XERIQXOCUZZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,4,11H2,1H3.
What are the key properties of (3,5-difluoro-4-methylsulfanylphenyl)methanamine?
(3,5-difluoro-4-methylsulfanylphenyl)methanamine has a molecular weight of 189.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 63814041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).