N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide

C9H9ClF3NOS — CID 51076758

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CC(F)(F)F
InChIInChI=1S/C9H9ClF3NOS/c1-14(8(15)4-9(11,12)13)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3
InChIKeyCTGNCUVDSPXIIW-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.31
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 51076758) has the molecular formula C9H9ClF3NOS and a molecular weight of 271.69 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide
PubChem CID51076758
Molecular FormulaC9H9ClF3NOS
Molecular Weight271.69 g/mol
Exact Mass271.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CC(F)(F)F
InChIInChI=1S/C9H9ClF3NOS/c1-14(8(15)4-9(11,12)13)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3
InChIKeyCTGNCUVDSPXIIW-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 2465947
1-{4-[(5-Chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 60645778
3-[(5-Chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 27073639
2-(2-aminoethylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 43249627
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
CID 45879040
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
CID 51075904
2-[(5-Chlorothiophen-2-yl)methyl-ethylamino]acetamide
CID 51223917
(3S)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95352340
N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 60740897
1-[4-[(5-Chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-sulfanylethanone
CID 145998222
5-Chloro-N,N-diisopropylthiophen-2-carboxamid
CID 129889291
3-[(5-Chlorothiophen-2-yl)methyl]-1,3-thiazolidin-2-one
CID 178336791

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide (CID 51076758) is N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)CC(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is CTGNCUVDSPXIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NOS/c1-14(8(15)4-9(11,12)13)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 271.69 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 51076758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).