4-(2-fluoropropyl)thiolan-3-amine

C7H14FNS — CID 115012879

IUPAC4-(2-fluoropropyl)thiolan-3-amine
SMILESCC(F)CC1CSCC1N
InChIInChI=1S/C7H14FNS/c1-5(8)2-6-3-10-4-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeyYUFSFRHEQXWKRV-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.42
Rot. Bonds2

About 4-(2-fluoropropyl)thiolan-3-amine

4-(2-fluoropropyl)thiolan-3-amine (PubChem CID 115012879) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-(2-fluoropropyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(2-fluoropropyl)thiolan-3-amine
PubChem CID115012879
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name4-(2-fluoropropyl)thiolan-3-amine
SMILESCC(F)CC1CSCC1N
InChIInChI=1S/C7H14FNS/c1-5(8)2-6-3-10-4-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeyYUFSFRHEQXWKRV-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)thiolan-3-amine?
The IUPAC name of 4-(2-fluoropropyl)thiolan-3-amine (CID 115012879) is 4-(2-fluoropropyl)thiolan-3-amine.
What is the SMILES notation for 4-(2-fluoropropyl)thiolan-3-amine?
The canonical SMILES for 4-(2-fluoropropyl)thiolan-3-amine is CC(F)CC1CSCC1N.
What is the InChIKey of 4-(2-fluoropropyl)thiolan-3-amine?
The InChIKey is YUFSFRHEQXWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-5(8)2-6-3-10-4-7(6)9/h5-7H,2-4,9H2,1H3.
What are the key properties of 4-(2-fluoropropyl)thiolan-3-amine?
4-(2-fluoropropyl)thiolan-3-amine has a molecular weight of 163.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)thiolan-3-amine is sourced from PubChem (CID 115012879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).