2-fluoro-3-(thian-4-yl)propan-1-amine

C8H16FNS — CID 105437229

IUPAC2-fluoro-3-(thian-4-yl)propan-1-amine
SMILESNCC(F)CC1CCSCC1
InChIInChI=1S/C8H16FNS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2
InChIKeyPLNKBGVKGYULNR-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds3

About 2-fluoro-3-(thian-4-yl)propan-1-amine

2-fluoro-3-(thian-4-yl)propan-1-amine (PubChem CID 105437229) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-3-(thian-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(thian-4-yl)propan-1-amine
PubChem CID105437229
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-3-(thian-4-yl)propan-1-amine
SMILESNCC(F)CC1CCSCC1
InChIInChI=1S/C8H16FNS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2
InChIKeyPLNKBGVKGYULNR-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-3-(thian-4-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(thian-4-yl)propan-1-amine (CID 105437229) is 2-fluoro-3-(thian-4-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(thian-4-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(thian-4-yl)propan-1-amine is NCC(F)CC1CCSCC1.
What is the InChIKey of 2-fluoro-3-(thian-4-yl)propan-1-amine?
The InChIKey is PLNKBGVKGYULNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2.
What are the key properties of 2-fluoro-3-(thian-4-yl)propan-1-amine?
2-fluoro-3-(thian-4-yl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(thian-4-yl)propan-1-amine is sourced from PubChem (CID 105437229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).