N-(2-fluoroethyl)propanethioamide

C5H10FNS — CID 175723324

IUPACN-(2-fluoroethyl)propanethioamide
SMILESCCC(=S)NCCF
InChIInChI=1S/C5H10FNS/c1-2-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyKFLMLKQMJJWDRK-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.28
Rot. Bonds3

About N-(2-fluoroethyl)propanethioamide

N-(2-fluoroethyl)propanethioamide (PubChem CID 175723324) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)propanethioamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)propanethioamide
PubChem CID175723324
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC NameN-(2-fluoroethyl)propanethioamide
SMILESCCC(=S)NCCF
InChIInChI=1S/C5H10FNS/c1-2-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyKFLMLKQMJJWDRK-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[bis[2-(ethanethioylamino)ethyl]amino]ethyl]propanethioamide
CID 59429219
N-prop-2-enylpropanethioamide
CID 15420967
CID 59088415
CID 59088415
(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine
CID 139367318
methyl N-(2-fluoroethyl)carbamate
CID 14512865
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
N-butylheptanethioamide
CID 88529052
N,N'-didodecylheptanedithioamide
CID 23451988
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084
N-ethyl-2-fluoroethanamine;hydrochloride
CID 19832652

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)propanethioamide?
The IUPAC name of N-(2-fluoroethyl)propanethioamide (CID 175723324) is N-(2-fluoroethyl)propanethioamide.
What is the SMILES notation for N-(2-fluoroethyl)propanethioamide?
The canonical SMILES for N-(2-fluoroethyl)propanethioamide is CCC(=S)NCCF.
What is the InChIKey of N-(2-fluoroethyl)propanethioamide?
The InChIKey is KFLMLKQMJJWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c1-2-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8).
What are the key properties of N-(2-fluoroethyl)propanethioamide?
N-(2-fluoroethyl)propanethioamide has a molecular weight of 135.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)propanethioamide is sourced from PubChem (CID 175723324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).