4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide

C9H14F3NOS — CID 84586643

IUPAC4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCC1CCCS1
InChIInChI=1S/C9H14F3NOS/c10-9(11,12)4-3-8(14)13-6-7-2-1-5-15-7/h7H,1-6H2,(H,13,14)
InChIKeyMEKWVGAGNYBWFQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.34
Rot. Bonds4

About 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide

4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide (PubChem CID 84586643) has the molecular formula C9H14F3NOS and a molecular weight of 241.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide
PubChem CID84586643
Molecular FormulaC9H14F3NOS
Molecular Weight241.28 g/mol
Exact Mass241.07
IUPAC Name4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCC1CCCS1
InChIInChI=1S/C9H14F3NOS/c10-9(11,12)4-3-8(14)13-6-7-2-1-5-15-7/h7H,1-6H2,(H,13,14)
InChIKeyMEKWVGAGNYBWFQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]ethyl]acetamide
CID 53856300
2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
CID 88837563
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 89344115
N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118025117
4,5-bis(2-fluoroethylsulfanyl)-N-propylpentanamide
CID 132157486
3,3-Difluoro-5-(methylsulfanylmethyl)pyrrolidin-2-one
CID 139386571
3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide
CID 145160117
S-[6-[(2,2,2-trifluoroacetyl)amino]hexyl] ethanethioate
CID 162358307
(5S)-3,3-difluoro-5-(methylsulfanylmethyl)pyrrolidin-2-one
CID 174285479
N-(2-cyclopentylsulfanylethyl)-3,3,3-trifluoropropanamide
CID 45813549
N-cyclopentyl-2-(trifluoromethylsulfanyl)acetamide
CID 51078884
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78761888

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide (CID 84586643) is 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide is O=C(CCC(F)(F)F)NCC1CCCS1.
What is the InChIKey of 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide?
The InChIKey is MEKWVGAGNYBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NOS/c10-9(11,12)4-3-8(14)13-6-7-2-1-5-15-7/h7H,1-6H2,(H,13,14).
What are the key properties of 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide?
4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide has a molecular weight of 241.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide is sourced from PubChem (CID 84586643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).