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

C7H14FNS — CID 105432256

IUPAC1-fluoro-1-(thiolan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3
InChIKeyLGZCLTCSCVTMQK-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.42
Rot. Bonds2

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

1-fluoro-1-(thiolan-3-yl)propan-2-amine (PubChem CID 105432256) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-fluoro-1-(thiolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(thiolan-3-yl)propan-2-amine
PubChem CID105432256
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name1-fluoro-1-(thiolan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3
InChIKeyLGZCLTCSCVTMQK-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 1-fluoro-1-(thiolan-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-1-(thiolan-3-yl)propan-2-amine (CID 105432256) is 1-fluoro-1-(thiolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-1-(thiolan-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-1-(thiolan-3-yl)propan-2-amine is CC(N)C(F)C1CCSC1.
What is the InChIKey of 1-fluoro-1-(thiolan-3-yl)propan-2-amine?
The InChIKey is LGZCLTCSCVTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3.
What are the key properties of 1-fluoro-1-(thiolan-3-yl)propan-2-amine?
1-fluoro-1-(thiolan-3-yl)propan-2-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 1-fluoro-1-(thiolan-3-yl)propan-2-amine is sourced from PubChem (CID 105432256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).