(4-fluorothiolan-3-yl)methanamine;hydrochloride

C5H11ClFNS — CID 105435022

IUPAC(4-fluorothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CSCC1F
InChIInChI=1S/C5H10FNS.ClH/c6-5-3-8-2-4(5)1-7;/h4-5H,1-3,7H2;1H
InChIKeyVHGWEANFIJDEFY-UHFFFAOYSA-N
MW171.67 g/mol
LogP1.07
Rot. Bonds1

About (4-fluorothiolan-3-yl)methanamine;hydrochloride

(4-fluorothiolan-3-yl)methanamine;hydrochloride (PubChem CID 105435022) has the molecular formula C5H11ClFNS and a molecular weight of 171.67 g/mol. Its IUPAC name is (4-fluorothiolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-fluorothiolan-3-yl)methanamine;hydrochloride
PubChem CID105435022
Molecular FormulaC5H11ClFNS
Molecular Weight171.67 g/mol
Exact Mass171.03
IUPAC Name(4-fluorothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CSCC1F
InChIInChI=1S/C5H10FNS.ClH/c6-5-3-8-2-4(5)1-7;/h4-5H,1-3,7H2;1H
InChIKeyVHGWEANFIJDEFY-UHFFFAOYSA-N
XLogP1.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorothiolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-fluorothiolan-3-yl)methanamine;hydrochloride (CID 105435022) is (4-fluorothiolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-fluorothiolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-fluorothiolan-3-yl)methanamine;hydrochloride is Cl.NCC1CSCC1F.
What is the InChIKey of (4-fluorothiolan-3-yl)methanamine;hydrochloride?
The InChIKey is VHGWEANFIJDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS.ClH/c6-5-3-8-2-4(5)1-7;/h4-5H,1-3,7H2;1H.
What are the key properties of (4-fluorothiolan-3-yl)methanamine;hydrochloride?
(4-fluorothiolan-3-yl)methanamine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorothiolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 105435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).