(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine

C11H13F2NS2 — CID 79971780

IUPAC(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)C1CSCCS1
InChIInChI=1S/C11H13F2NS2/c12-8-3-7(4-9(13)5-8)11(14)10-6-15-1-2-16-10/h3-5,10-11H,1-2,6,14H2
InChIKeyFSAMCGYHRWHAHR-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.81
Rot. Bonds2

About (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine

(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine (PubChem CID 79971780) has the molecular formula C11H13F2NS2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine
PubChem CID79971780
Molecular FormulaC11H13F2NS2
Molecular Weight261.36 g/mol
Exact Mass261.05
IUPAC Name(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)C1CSCCS1
InChIInChI=1S/C11H13F2NS2/c12-8-3-7(4-9(13)5-8)11(14)10-6-15-1-2-16-10/h3-5,10-11H,1-2,6,14H2
InChIKeyFSAMCGYHRWHAHR-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine (CID 79971780) is (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine is NC(c1cc(F)cc(F)c1)C1CSCCS1.
What is the InChIKey of (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine?
The InChIKey is FSAMCGYHRWHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS2/c12-8-3-7(4-9(13)5-8)11(14)10-6-15-1-2-16-10/h3-5,10-11H,1-2,6,14H2.
What are the key properties of (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine?
(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 79971780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).