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

C8H16FNS — CID 105437218

IUPAC1-fluoro-1-(thian-4-yl)propan-2-amine
SMILESCC(N)C(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8H,2-5,10H2,1H3
InChIKeyVRQFZBISWRXDQQ-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.81
Rot. Bonds2

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

1-fluoro-1-(thian-4-yl)propan-2-amine (PubChem CID 105437218) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-fluoro-1-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(thian-4-yl)propan-2-amine
PubChem CID105437218
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name1-fluoro-1-(thian-4-yl)propan-2-amine
SMILESCC(N)C(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8H,2-5,10H2,1H3
InChIKeyVRQFZBISWRXDQQ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-fluoro-1-(thian-4-yl)propan-2-amine (CID 105437218) is 1-fluoro-1-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-1-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-1-(thian-4-yl)propan-2-amine is CC(N)C(F)C1CCSCC1.
What is the InChIKey of 1-fluoro-1-(thian-4-yl)propan-2-amine?
The InChIKey is VRQFZBISWRXDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-fluoro-1-(thian-4-yl)propan-2-amine?
1-fluoro-1-(thian-4-yl)propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105437218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).