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

C7H14FNS — CID 105432257

IUPAC2-fluoro-2-(thiolan-3-yl)propan-1-amine
SMILESCC(F)(CN)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-7(8,5-9)6-2-3-10-4-6/h6H,2-5,9H2,1H3
InChIKeyNXNDKXDCQMCOGP-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds2

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

2-fluoro-2-(thiolan-3-yl)propan-1-amine (PubChem CID 105432257) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-fluoro-2-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(thiolan-3-yl)propan-1-amine
PubChem CID105432257
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-fluoro-2-(thiolan-3-yl)propan-1-amine
SMILESCC(F)(CN)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-7(8,5-9)6-2-3-10-4-6/h6H,2-5,9H2,1H3
InChIKeyNXNDKXDCQMCOGP-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(thiolan-3-yl)propan-1-amine (CID 105432257) is 2-fluoro-2-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(thiolan-3-yl)propan-1-amine is CC(F)(CN)C1CCSC1.
What is the InChIKey of 2-fluoro-2-(thiolan-3-yl)propan-1-amine?
The InChIKey is NXNDKXDCQMCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-7(8,5-9)6-2-3-10-4-6/h6H,2-5,9H2,1H3.
What are the key properties of 2-fluoro-2-(thiolan-3-yl)propan-1-amine?
2-fluoro-2-(thiolan-3-yl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105432257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).