(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine

C10H13F2NS — CID 63808591

IUPAC(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H13F2NS/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyIWOVWXUHHWADON-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.92
Rot. Bonds3

About (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine

(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine (PubChem CID 63808591) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
PubChem CID63808591
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1c(F)cc(CN)cc1F
InChIInChI=1S/C10H13F2NS/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyIWOVWXUHHWADON-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine (CID 63808591) is (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine is CC(C)Sc1c(F)cc(CN)cc1F.
What is the InChIKey of (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine?
The InChIKey is IWOVWXUHHWADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine?
(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine has a molecular weight of 217.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 63808591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).