2-fluoro-2-(thian-3-yl)propan-1-amine

C8H16FNS — CID 105437220

IUPAC2-fluoro-2-(thian-3-yl)propan-1-amine
SMILESCC(F)(CN)C1CCCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,6-10)7-3-2-4-11-5-7/h7H,2-6,10H2,1H3
InChIKeyQJJPCNLNNZLBPD-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds2

About 2-fluoro-2-(thian-3-yl)propan-1-amine

2-fluoro-2-(thian-3-yl)propan-1-amine (PubChem CID 105437220) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-2-(thian-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(thian-3-yl)propan-1-amine
PubChem CID105437220
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-2-(thian-3-yl)propan-1-amine
SMILESCC(F)(CN)C1CCCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,6-10)7-3-2-4-11-5-7/h7H,2-6,10H2,1H3
InChIKeyQJJPCNLNNZLBPD-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-fluoro-2-(thian-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(thian-3-yl)propan-1-amine (CID 105437220) is 2-fluoro-2-(thian-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(thian-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(thian-3-yl)propan-1-amine is CC(F)(CN)C1CCCSC1.
What is the InChIKey of 2-fluoro-2-(thian-3-yl)propan-1-amine?
The InChIKey is QJJPCNLNNZLBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(9,6-10)7-3-2-4-11-5-7/h7H,2-6,10H2,1H3.
What are the key properties of 2-fluoro-2-(thian-3-yl)propan-1-amine?
2-fluoro-2-(thian-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-fluoro-2-(thian-3-yl)propan-1-amine is sourced from PubChem (CID 105437220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).