[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine

C7H14FNO2S — CID 115020252

IUPAC[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1CS(=O)(=O)CC1CCF
InChIInChI=1S/C7H14FNO2S/c8-2-1-6-4-12(10,11)5-7(6)3-9/h6-7H,1-5,9H2
InChIKeyOKGXLQRIVQMJKO-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.03
Rot. Bonds3

About [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine

[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 115020252) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID115020252
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1CS(=O)(=O)CC1CCF
InChIInChI=1S/C7H14FNO2S/c8-2-1-6-4-12(10,11)5-7(6)3-9/h6-7H,1-5,9H2
InChIKeyOKGXLQRIVQMJKO-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine
CID 84785633
(4-ethyl-1,1-dioxothian-3-yl)methanamine
CID 84772118
[4-(4-chlorophenyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84806283
2-[4-(aminomethyl)-1,1-dioxothiolan-3-yl]phenol
CID 84801049
3-ethynyl-4-(fluoromethyl)thiolane 1,1-dioxide
CID 89449805
[4-(2-methylphenyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84799841
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 21178486
3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463177
[2-(fluoromethyl)cyclobutyl]methanamine
CID 71756483
[2-(2-fluoroethyl)cyclohexyl]methanol
CID 84716751

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine (CID 115020252) is [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine is NCC1CS(=O)(=O)CC1CCF.
What is the InChIKey of [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is OKGXLQRIVQMJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-2-1-6-4-12(10,11)5-7(6)3-9/h6-7H,1-5,9H2.
What are the key properties of [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine?
[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 115020252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).