[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine

C13H10F4N2S — CID 63673671

IUPAC[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10F4N2S/c14-10-2-3-11(8(5-10)6-18)20-12-4-1-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2
InChIKeySDQLTCPCRYWOFQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.85
Rot. Bonds3

About [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine

[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine (PubChem CID 63673671) has the molecular formula C13H10F4N2S and a molecular weight of 302.30 g/mol. Its IUPAC name is [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
PubChem CID63673671
Molecular FormulaC13H10F4N2S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10F4N2S/c14-10-2-3-11(8(5-10)6-18)20-12-4-1-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2
InChIKeySDQLTCPCRYWOFQ-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 82809594
2-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanamine
CID 63817914
[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-pyridinyl]methanamine
CID 43528896
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 102818650
[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
CID 20623707
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
CID 78969097
2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80650709
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
CID 104603478
[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 63674003
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzenecarboximidamide
CID 114893602

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine (CID 63673671) is [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine is NCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
The InChIKey is SDQLTCPCRYWOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2S/c14-10-2-3-11(8(5-10)6-18)20-12-4-1-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2.
What are the key properties of [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine?
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine has a molecular weight of 302.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine is sourced from PubChem (CID 63673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).