2-(3-fluorothian-3-yl)propan-1-amine

C8H16FNS — CID 105437236

IUPAC2-(3-fluorothian-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCCSC1
InChIInChI=1S/C8H16FNS/c1-7(5-10)8(9)3-2-4-11-6-8/h7H,2-6,10H2,1H3
InChIKeyIDACOGCEUASARC-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-fluorothian-3-yl)propan-1-amine

2-(3-fluorothian-3-yl)propan-1-amine (PubChem CID 105437236) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(3-fluorothian-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluorothian-3-yl)propan-1-amine
PubChem CID105437236
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-(3-fluorothian-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCCSC1
InChIInChI=1S/C8H16FNS/c1-7(5-10)8(9)3-2-4-11-6-8/h7H,2-6,10H2,1H3
InChIKeyIDACOGCEUASARC-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothian-3-yl)propan-1-amine?
The IUPAC name of 2-(3-fluorothian-3-yl)propan-1-amine (CID 105437236) is 2-(3-fluorothian-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-fluorothian-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-fluorothian-3-yl)propan-1-amine is CC(CN)C1(F)CCCSC1.
What is the InChIKey of 2-(3-fluorothian-3-yl)propan-1-amine?
The InChIKey is IDACOGCEUASARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7(5-10)8(9)3-2-4-11-6-8/h7H,2-6,10H2,1H3.
What are the key properties of 2-(3-fluorothian-3-yl)propan-1-amine?
2-(3-fluorothian-3-yl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothian-3-yl)propan-1-amine is sourced from PubChem (CID 105437236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).