(2,5-difluoro-3-methylsulfanylphenyl)methanamine

C8H9F2NS — CID 117281490

IUPAC(2,5-difluoro-3-methylsulfanylphenyl)methanamine
SMILESCSc1cc(F)cc(CN)c1F
InChIInChI=1S/C8H9F2NS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3H,4,11H2,1H3
InChIKeyCYTGPYNCCMWTQR-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.15
Rot. Bonds2

About (2,5-difluoro-3-methylsulfanylphenyl)methanamine

(2,5-difluoro-3-methylsulfanylphenyl)methanamine (PubChem CID 117281490) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is (2,5-difluoro-3-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-difluoro-3-methylsulfanylphenyl)methanamine
PubChem CID117281490
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name(2,5-difluoro-3-methylsulfanylphenyl)methanamine
SMILESCSc1cc(F)cc(CN)c1F
InChIInChI=1S/C8H9F2NS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3H,4,11H2,1H3
InChIKeyCYTGPYNCCMWTQR-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

3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
CID 117311078
2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117309703
(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
CID 63673498
2,5-difluoro-3-methylsulfanylbenzaldehyde
CID 117275473
2,5-difluoro-3-methylsulfanylbenzonitrile
CID 117280034
2,4-difluoro-6-methylsulfanylaniline
CID 115507618
(6-fluoro-2-methylquinolin-8-yl)methanamine
CID 82573593
[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
CID 162349795
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107752002

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-3-methylsulfanylphenyl)methanamine?
The IUPAC name of (2,5-difluoro-3-methylsulfanylphenyl)methanamine (CID 117281490) is (2,5-difluoro-3-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2,5-difluoro-3-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2,5-difluoro-3-methylsulfanylphenyl)methanamine is CSc1cc(F)cc(CN)c1F.
What is the InChIKey of (2,5-difluoro-3-methylsulfanylphenyl)methanamine?
The InChIKey is CYTGPYNCCMWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3H,4,11H2,1H3.
What are the key properties of (2,5-difluoro-3-methylsulfanylphenyl)methanamine?
(2,5-difluoro-3-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 (2,5-difluoro-3-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 117281490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).